C13H13NO5 1H-PYRANO [3,4-f] Indolizine-3,4,10 (4H) -Trione, 4-Ethyl-7,8-dihydro-4- hydroxy-, (4c) - (9ci, aci) h319, H302
Fananana ara-batana lehibe | sarobidy | toe-javatra |
Lanjan'ny molekiola | 263.25 | - |
Melting Point (fanandramana) | 177.1-178.3 ° C | - |
Mangotraka (nambara) | 666.6 ± 55.0 ° C | Press: 760 Torr |
Fahalemena (nambara) | 1.50 ± 0.1 g / cm3 | Temp: 20 ° C; Press: 760 Torr |
PKA (nambara) | 11.20 ± 0.20 | Ankamaroan'ny temps temp: 25 ° C |
Kanonical Smiles O = C1C2 = C (C = C = C3C (= O) CCN13) C CCN13) C CCN13) C CCN13) C (O) (C CCN13) C (O) (C
Isomeric Smiles C (c) [c @] 1 (o) c2 = c (c (c (= o) n3c (= c2) c (= o) cc3) coc1 = o
Inchi
Inchi = 1s / c13n13no5 / c1-213 (18) 8-5-9-10 (15) 3-4-14 (9) 11 (16) 7 (8) 6-19-12 (13) 17 / H5,18h, 2-4,6H2,1H3 / t3- / M0 / M0 / S1
Inchi Key
IgkwogmVaoyvsj-zdusscgksa-n
5 anarana hafa ho an'ity zavatra ity
(4s) -4-Ethyl-7,8-dihydro-4-hydroxy-1h-pyrano [3.4-f] Indolizine-3,6,10 (4h) -Mrione (Aci); 1H-Pyrano [3,4-f] Indolizine-3,6,10 (4h) -Mrione, 4- EKYL-7,8-dihydro-4-hydroxy-, (s) - (ZCI); (4s) -4-etika-4-hydroxy-7,8-dihydro-1h-pyrano [3.4-f] Indolizine-3,6,10 (4h) Trione; (4s) -4-Ethyl-4-
hydroxy-7,8-dihydro-1h-pyrano [3,4-f] Indolizine-3.6,10-Trione; (S) -4-etika-4-hydroxy-7,8-dihydro-1h-pyrano [3,4-f] indolizine-3,6,10 (4h) -trione
Fananana misy |
Optical sy miparitaka |
mafana |
Optical sy miparitaka
NY FANANANA | sarobidy | toe-javatra | Source |
Herin'ny rotika optika | +120.6 deg | C: 0.62 g / 100ml; Solvent: Chloroform | (1) IC |
Herin'ny rotika optika | +120.57 deg | C: 0.62 g / 100ml; Solvent: chloroform; Temp: 20 ° C | (2) IC |
Herin'ny rotika optika | +119.57 deg | C: 1.0 g / 100ml; Solvent: chloroform; λ: 589.3 nm; Temp: 25 ° C | (3) Cas |
Herin'ny rotika optika | +119.57 degreed · ml / g · dm | C: 1.0 g / 100ml; Solvent: chloroform; λ: sodium d andalana; Temp: 25 ° C | (4) CAS |
Herin'ny rotika optika | +117.6 deg | C: 0.56 g / 100ml; Solvent: chloroform; Temp: 23 ° C | (5) IC |
Herin'ny rotika optika | +116.14 degre · ML / G · DM | C: 1.0 g / 100ml; Solvent: chloroform; λ: sodium d andalana; Temp: 26 ° C | (4) CAS |
Herin'ny rotika optika | +96 deg | C: 0,40 g / 100ml; Temp: 21 ° C | (6) IC |
Herin'ny rotika optika | +77.8 deg | C: 0.62 g / 100ml; Solvent: chloroform; λ: 589.3 nm; Temp: 25 ° C | (7) CAS |
(1) Terasawa, Hirofumi; Bulletin simika sy pharmaceutical, (1989), 37 (12), 3382-5, caplus
(2) Tagawa, Hiroaki; EP220601, A1, 1987, Caplus
(3) Henegar, Kevin e.; Journal of Simia simia organika, (1997), 62 (19), 6588-6597, Caplus
(4) watanabe, tatsuya; Chemistry - Journal Assian, (2013), 8 (3), 630-638, Caplus
(5) Ejima, Akio; Gazety ao amin'ny fiaraha-monina simika, fifanakalozana perkin 1: simika simika sy bio-organika (1972-1999), (1990) (1), 27-31, caplus
(6) Wani, mansukh c.; Gazety momba ny fanafody simika fanafody, (1987), 30 (12), 2317-19, Caplus
(7) Kuang, Yun-yan; Helvetica Chimica Acta, (2010), 93 (10), 2094-2099, Caplus
mafana
NY FANANANA | sarobidy | toe-javatra | Source | |
Melting Point | 183-185 ° C (Decomp) | (1) Cas | ||
Melting Point | 177.1-178.3 ° C | (2) Cas | ||
Melting Point | 176-177 ° C (Decomp) | (3) ic | ||
Melting Point | 169-170 ° C | Solvent: | EtaiL Acetate | (4) IC |
(1) Kuang, Yun-yan; Helvetica Chimica Acta, (2010), 93 (10), 2094-2099, Caplus
(2) Henegar, Kevin e.; Journal of Simia simia organika, (1997), 62 (19), 6588-6597, Caplus
(3) Ejima, Akio; Gazety ao amin'ny fiaraha-monina simika, fifanakalozana perkin 1: simika simika sy bio-organika (1972-1999), (1990) (1), 27-31, caplus
(4) Wani, mansukh c.; Gazety momba ny fanafody simika fanafody, (1987), 30 (12), 2317-19, Caplus
Spectra misy
1H NMR
-bahoaka
Fananana misy |
niteraka |
simika |
hakitroky |
Lipinski |
Mifandraika mifandraika |
mafana |
niteraka
NY FANANANA | sarobidy | toe-javatra | Source |
Factor Bioconcentration | 1.0 | PH 1; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 1.0 | PH 2; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 1.0 | PH 3; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 1.0 | PH 4; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 1.0 | PH 5; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 1.0 | PH 6; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 1.0 | PH 7; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 1.0 | PH 8; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 1.0 | PH 9; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 1.0 | PH 10; Temp: 25 ° C | (1) ACD |
(1) kajy amin'ny fampandrosoana ny simika Advanced (ACD / Labs) rindrambaiko V11.02 (© 1994-2023 ACD / Labs)
simika
NY FANANANA | sarobidy | toe-javatra | Source |
Koc | 7.37 | PH 1; Temp: 25 ° C | (1) ACD |
Koc | 7.37 | PH 2; Temp: 25 ° C | (1) ACD |
Koc | 7.37 | PH 3; Temp: 25 ° C | (1) ACD |
Koc | 7.37 | PH 4; Temp: 25 ° C | (1) ACD |
Koc | 7.37 | PH 5; Temp: 25 ° C | (1) ACD |
Koc | 7.37 | PH 6; Temp: 25 ° C | (1) ACD |
Koc | 7.37 | PH 7; Temp: 25 ° C | (1) ACD |
NY FANANANA | sarobidy | toe-javatra | Source |
Koc | 7.37 | PH 8; Temp: 25 ° C | (1) ACD |
Koc | 7.33 | PH 9; Temp: 25 ° C | (1) ACD |
Koc | 6.94 | PH 10; Temp: 25 ° C | (1) ACD |
LogD | -0.94 | PH 1; Temp: 25 ° C | (1) ACD |
LogD | -0.94 | PH 2; Temp: 25 ° C | (1) ACD |
LogD | -0.94 | PH 3; Temp: 25 ° C | (1) ACD |
LogD | -0.94 | PH 4; Temp: 25 ° C | (1) ACD |
LogD | -0.94 | PH 5; Temp: 25 ° C | (1) ACD |
LogD | -0.94 | PH 6; Temp: 25 ° C | (1) ACD |
LogD | -0.94 | PH 7; Temp: 25 ° C | (1) ACD |
LogD | -0.94 | PH 8; Temp: 25 ° C | (1) ACD |
LogD | -0.94 | PH 9; Temp: 25 ° C | (1) ACD |
LogD | -0.96 | PH 10; Temp: 25 ° C | (1) ACD |
Logp | -0.936 ± 0.842 | Temp: 25 ° C | (1) ACD |
Solondrailala an-tsokosoko | 371 G / L | Temp: 25 ° C | (1) ACD |
Supubility Mass | 371 G / L | PH 1; Temp: 25 ° C | (1) ACD |
Supubility Mass | 371 G / L | PH 2; Temp: 25 ° C | (1) ACD |
Supubility Mass | 371 G / L | PH 3; Temp: 25 ° C | (1) ACD |
Supubility Mass | 371 G / L | PH 4; Temp: 25 ° C | (1) ACD |
Supubility Mass | 371 G / L | PH 5; Temp: 25 ° C | (1) ACD |
Supubility Mass | 371 G / L | PH 6; Temp: 25 ° C | (1) ACD |
Supubility Mass | 371 G / L | PH 7; Temp: 25 ° C | (1) ACD |
Supubility Mass | 371 G / L | PH 8; Temp: 25 ° C | (1) ACD |
Supubility Mass | 371 G / L | PH 9; Temp: 25 ° C | (1) ACD |
Supubility Mass | 392 G / L | PH 10; Temp: 25 ° C | (1) ACD |
Supubility Mass | 371 G / L | Rano tsy voaroy Ph 5.53; Temp: 25 ° C | (1) ACD |
Movra intrinsic solubility | 1.41 mol / l | Temp: 25 ° C | (1) ACD |
Molar Solubility | 1.41 mol / l | PH 1; Temp: 25 ° C | (1) ACD |
Molar Solubility | 1.41 mol / l | PH 2; Temp: 25 ° C | (1) ACD |
Molar Solubility | 1.41 mol / l | PH 3; Temp: 25 ° C | (1) ACD |
Molar Solubility | 1.41 mol / l | PH 4; Temp: 25 ° C | (1) ACD |
Molar Solubility | 1.41 mol / l | PH 5; Temp: 25 ° C | (1) ACD |
NY FANANANA | sarobidy | toe-javatra | Source | |
Molar Solubility | 1.41 mol / l | PH 6; Temp: 25 ° C | (1) ACD | |
Molar Solubility | 1.41 mol / l | PH 7; Temp: 25 ° C | (1) ACD | |
Molar Solubility | 1.41 mol / l | PH 8; Temp: 25 ° C | (1) ACD | |
Molar Solubility | 1.41 mol / l | PH 9; Temp: 25 ° C | (1) ACD | |
Molar Solubility | 1.49 mol / l | PH 10; Temp: 25 ° C | (1) ACD | |
Molar Solubility | 1.41 mol / l | Rano tsy voaroy Ph 5.53; Temp: 25 ° C | (1) ACD | |
Lanjan'ny molekiola | 263.25 | |||
pka | 11.20 ± 0.20 | Ankamaroan'ny temps temp: 25 ° C | (1) ACD | |
pka | -2.24 ± 0.40 | Ny ankamaroan'ny Temp: 25 ° C | (1) ACD | |
Ny tsindry vapor | 1.29 x 10-20 | Torr | Temp: 25 ° C | (1) ACD |
(1) kajy amin'ny fampandrosoana ny simika Advanced (ACD / Labs) rindrambaiko V11.02 (© 1994-2023 ACD / Labs)
hakitroky
NY FANANANA | sarobidy | toe-javatra | Source |
hakitroky | 1.50 ± 0.1 g / cm3 | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
Molar volume | 174.8 ± 5.0 cm3 / mol | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
(1) kajy amin'ny fampandrosoana ny simika Advanced (ACD / Labs) rindrambaiko V11.02 (© 1994-2023 ACD / Labs)
Lipinski
NY FANANANA | sarobidy | toe-javatra | Source |
Fatorana rotatateble malalaka | 2 | (1) ACD | |
H Mpanaja | 6 | (1) ACD | |
H mpamatsy vola | 1 | (1) ACD | |
H Donor / Accas Sum | 7 | (1) ACD | |
Logp | -0.936 ± 0.842 | Temp: 25 ° C | (1) ACD |
Lanjan'ny molekiola | 263.25 |
(1) kajy amin'ny fampandrosoana ny simika Advanced (ACD / Labs) rindrambaiko V11.02 (© 1994-2023 ACD / Labs)
Mifandraika mifandraika
NY FANANANA | sarobidy | toe-javatra | Source |
Faritra misy polar | 83.9 A2 | (1) ACD |
(1) kajy amin'ny fampandrosoana ny simika Advanced (ACD / Labs) rindrambaiko V11.02 (© 1994-2023 ACD / Labs)
mafana
NY FANANANA | sarobidy | toe-javatra | Source |
Mangotraka | 666.6 ± 55.0 ° C | Press: 760 Torr | (1) ACD |
Enthhalpy ny vaporization | 112.17 ± 6.0 KJ / Mol | Press: 760 Torr | (1) ACD |
Flash point | 357.0 ± 31.5 ° C | (1) ACD |
(1) kajy amin'ny fampandrosoana ny simika Advanced (ACD / Labs) rindrambaiko V11.02 (© 1994-2023 ACD / Labs)
Spectra misy
1H NMR
13c NMR
fehezan-dalàna | Fanambarana momba ny loza | Source |
H319 | Miteraka fahasosorana be loatra | Ny fifanakalozan-kevitra simika simika eropeana sy ny famoretana an-tsary momba ny simika sy ny mari-pamantarana - fampandrenesana mahazatra, ny fampandrenesana mahazatra, ny masoivoho simika (echa) |
H302 | Manimba raha mitelina | Ny fifanakalozan-kevitra simika simika eropeana sy ny famoretana an-tsary momba ny simika sy ny mari-pamantarana - fampandrenesana mahazatra, ny fampandrenesana mahazatra, ny masoivoho simika (echa) |
Fampahalalana momba ny raharaham-barotra: Public
Sady mitovy hevitra | ||
(S) -4-et-etroxy-4,8-dihydro-1h-pyranno (3,4-f) Indolizine-3,6,10 (4h) -trione | - | FRANTSAY |
(S) -4-etika-4-hydroxy-7,8-dihydro-1h-pyranno [3,4-f] Indolizine-3,6,10 (4h) -trione | - | FRANTSAY |
(S) -4 -4-etika-4-hydroxy-7,8-dihydro-1h-pyrano (3,4-f) Indolizin-3,6,10 (4h) -trion | - | Danoà, Alemanina |
(S) -4-etika-4-hydroxy-7,8-dihydro-1h-pyrano (3,4-f) Indolizine-3,6,10 (4h) -trion | - | Anarana iombonana |
(S) -4-etika-4-hydroxy-7,8-dihydro-1h-pyrano [3.4-f] Indolizin-3,6,10 (4h) -trion | - | Danoà, Alemanina |
(S) -4-ethyl-4-hydroxy-7,8-dihydro-1h-pyrano [3.4-f] indolizine-3,6,10 (4h) -trion | - | Anarana iombonana |
(S) -4-etika-4-hydroxy-7,8-dihydro-1h-pyrano [3,4-f] indolizine-3,6,10 (4h) -trione | - | - |
(S) -4-etil-4-hidroxi-7,8-dihidro-1h-pirano (3,4-f) Indolizina-3,6,10 (4h) -triona | - | Portogey, Espaniola |
(S) -4-etil-4-hidroxi-7,8-dihidro-1h-pirano [3,4-f] Indolizina-3,6,10 (4h) -triona | - | Portogey, Espaniola |
(S) -4-Etil-4-Idrossi-7,8-diidro-1H-Pirano (3,4-f) Indolizin-3,6,10 (4h) -Trione | - | ITALIANINA |
(S) -4-etil-4-idrossi-7,8-diidro-1h-pirano [3,4-f] Indolizin-3,6,10 (4h) -trione | - | ITALIANINA |
(S) -4-etyl-4-hydroxi-7,8-dihydro-1h-pyrano (3,4-f) Indolizin-3,6,10 (4h) -trion | - | Anarana |
(S) -4-etyl-4-hydroxi-7,8-dihydro-1h-pyrano [3,4-f] Indolizin-3,6,10 (4h) -trion | - | Anarana |
(S) -4-Etyyli-4-hydroksi-7,8-dihydro-1h-pyrano (3,4-f) Indolitsiini-3,6,10 (4h) -trioni | - | Anarana |
(S) -4-Etyyli-4-hydroksi-7,8-dihydro-1h-pyrano [3.4-f] Indolitsiini-3,6,10 (4h) -trioni | - | Anarana |
Ny antsipiriany avy amin'ny firenena / International & Lists hafa
Fehezan-tariby tarif: 293499 Fampahalalana momba ny firenena / Faritra misy
Famintinana ny Vondrona Vondrona Eropeana
Sainam-pirenena
Code Customs CN: 29349990