C30H28N2O7 6H-FURO [2 ', 3': 4,5] OWZOLO [3.2-a] Pyrimidin-6 - [[bis (4-metatra) -23,3A, 9a-tetrahydrro-3 (9ci, aci)
Fananana ara-batana lehibe | sarobidy | toe-javatra |
Lanjan'ny molekiola | 528.55 | - |
Melting Point (fanandramana) | 129.5-130 ° C | - |
Mangotraka (nambara) | 688.2 ± 65.0 ° C | Press: 760 Torr |
Fahalemena (nambara) | 1.35 ± 0.1 g / cm3 | Temp: 20 ° C; Press: 760 Torr |
PKA (nambara) | 12.51 ± 0.40 | Ankamaroan'ny temps temp: 25 ° C |
Canonical Smiles O = C1n = C2OC3C (O) C (OC3N2C = C1) COC (C = 4C = CC = CC4) (C5 = CC = C = C (OC) C = C (OC) C = C5 = C (OC) C = C (OC) C = C6
ISOMERIC SMILES C (OC [C @@] 2o ([C @] ([C @@ H] 1o)
Inchi
Inchi = 1s / c30h28n2o7 / c1-35-22-12-8-20 (9-13-22) 30 (19-6-4-3-5-7-19,21-19,21-19,21 (36-2) 15-11-21) 37-18-24-26 (34) 27-28 (38-24) 32-17- 16-25 (33) 31-29 (32) 39-27 / H3-17,24,26-28,34h, 18H2,123 / T24-, 26-, 27 +, 28- / M1 / S1
Inchi Key
Oeirlwhcgaicdw-aogfthlwsa-n
2 anarana hafa ho an'ity akora ity
(2r, 3r, 3as, 3as, 9ar) -2 - [[bis (bis (4-metoxypheny) -2yl] -23,3a, 9a-tetrahy-6h-fro [2 ', 3': 4,5] oxazolo 6H-furo [2 ', 3': 4,5] ODZOLO [3.2-a] Pyrimidin-6-iray, 2 - [[bis (4-metoxlenyl) phenylmethony] Methyl] -2,3,3A, 9a-
Tetraahydro-3-hydroxy-, [2r- (2α, 3β, 3aβ, 9aβ, 9aβ)] - (ZCI)] - (ZCI)
Fananana misy |
mafana |
mafana
NY FANANANA | sarobidy | toe-javatra | Source |
Melting Point | 129.5-130 ° C | (1) Cas |
(1) Szlentkier, Maurycy; Ny nucleosides, asidra nukleotides & asidra, (2016), 35 (8), 410-425, Caplus
Spectra misy |
1H NMR |
13c NMR |
IR |
-bahoaka |
Ny fananana mialoha
Fananana misy |
niteraka |
simika |
hakitroky |
Lipinski |
Mifandraika mifandraika |
mafana |
niteraka
NY FANANANA | sarobidy | toe-javatra | Source |
Factor Bioconcentration | 1360 | PH 1; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 1360 | PH 2; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 1360 | PH 3; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 1360 | PH 4; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 1360 | PH 5; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 1360 | PH 6; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 1360 | PH 7; Temp: 25 ° C | (1) ACD |
NY FANANANA | sarobidy | toe-javatra | Source |
Factor Bioconcentration | 1360 | PH 8; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 1360 | PH 9; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 1350 | 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 | 6080 | PH 1; Temp: 25 ° C | (1) ACD |
Koc | 6080 | PH 2; Temp: 25 ° C | (1) ACD |
Koc | 6080 | PH 3; Temp: 25 ° C | (1) ACD |
Koc | 6080 | PH 4; Temp: 25 ° C | (1) ACD |
Koc | 6080 | PH 5; Temp: 25 ° C | (1) ACD |
Koc | 6080 | PH 6; Temp: 25 ° C | (1) ACD |
Koc | 6080 | PH 7; Temp: 25 ° C | (1) ACD |
Koc | 6080 | PH 8; Temp: 25 ° C | (1) ACD |
Koc | 6070 | PH 9; Temp: 25 ° C | (1) ACD |
Koc | 6060 | PH 10; Temp: 25 ° C | (1) ACD |
LogD | 4.42 | PH 1; Temp: 25 ° C | (1) ACD |
LogD | 4.42 | PH 2; Temp: 25 ° C | (1) ACD |
LogD | 4.42 | PH 3; Temp: 25 ° C | (1) ACD |
LogD | 4.42 | PH 4; Temp: 25 ° C | (1) ACD |
LogD | 4.42 | PH 5; Temp: 25 ° C | (1) ACD |
LogD | 4.42 | PH 6; Temp: 25 ° C | (1) ACD |
LogD | 4.42 | PH 7; Temp: 25 ° C | (1) ACD |
LogD | 4.42 | PH 8; Temp: 25 ° C | (1) ACD |
LogD | 4.42 | PH 9; Temp: 25 ° C | (1) ACD |
LogD | 4.42 | PH 10; Temp: 25 ° C | (1) ACD |
Logp | 4.424 ± 0.618 | Temp: 25 ° C | (1) ACD |
Solondrailala an-tsokosoko | 5.8 x 10-4 g / l | Temp: 25 ° C | (1) ACD |
Supubility Mass | 5.8 x 10-4 g / l | PH 1; Temp: 25 ° C | (1) ACD |
Supubility Mass | 5.8 x 10-4 g / l | PH 2; Temp: 25 ° C | (1) ACD |
Supubility Mass | 5.8 x 10-4 g / l | PH 3; Temp: 25 ° C | (1) ACD |
Supubility Mass | 5.8 x 10-4 g / l | PH 4; Temp: 25 ° C | (1) ACD |
Supubility Mass | 5.8 x 10-4 g / l | PH 5; Temp: 25 ° C | (1) ACD |
NY FANANANA | sarobidy | toe-javatra | Source |
Supubility Mass | 5.8 x 10-4 g / l | PH 6; Temp: 25 ° C | (1) ACD |
Supubility Mass | 5.8 x 10-4 g / l | PH 7; Temp: 25 ° C | (1) ACD |
Supubility Mass | 5.8 x 10-4 g / l | PH 8; Temp: 25 ° C | (1) ACD |
Supubility Mass | 5.8 x 10-4 g / l | PH 9; Temp: 25 ° C | (1) ACD |
Supubility Mass | 5.8 x 10-4 g / l | PH 10; Temp: 25 ° C | (1) ACD |
Supubility Mass | 5.8 x 10-4 g / l | PH 7 7,00; Temp: 25 ° C | (1) ACD |
Movra intrinsic solubility | 1.1 x 10-6 Mol / l | Temp: 25 ° C | (1) ACD |
Molar Solubility | 1.1 x 10-6 Mol / l | PH 1; Temp: 25 ° C | (1) ACD |
Molar Solubility | 1.1 x 10-6 Mol / l | PH 2; Temp: 25 ° C | (1) ACD |
Molar Solubility | 1.1 x 10-6 Mol / l | PH 3; Temp: 25 ° C | (1) ACD |
Molar Solubility | 1.1 x 10-6 Mol / l | PH 4; Temp: 25 ° C | (1) ACD |
Molar Solubility | 1.1 x 10-6 Mol / l | PH 5; Temp: 25 ° C | (1) ACD |
Molar Solubility | 1.1 x 10-6 Mol / l | PH 6; Temp: 25 ° C | (1) ACD |
Molar Solubility | 1.1 x 10-6 Mol / l | PH 7; Temp: 25 ° C | (1) ACD |
Molar Solubility | 1.1 x 10-6 Mol / l | PH 8; Temp: 25 ° C | (1) ACD |
Molar Solubility | 1.1 x 10-6 Mol / l | PH 9; Temp: 25 ° C | (1) ACD |
Molar Solubility | 1.1 x 10-6 Mol / l | PH 10; Temp: 25 ° C | (1) ACD |
Molar Solubility | 1.1 x 10-6 Mol / l | PH 7 7,00; Temp: 25 ° C | (1) ACD |
Lanjan'ny molekiola | 528.55 | ||
pka | 12.51 ± 0.40 | Ankamaroan'ny temps temp: 25 ° C | (1) ACD |
pka | -4.70 ± 0.60 | Ny ankamaroan'ny Temp: 25 ° C | (1) ACD |
Ny tsindry vapor | 6.91 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 | 1.35 ± 0.1 g / cm3 | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
Molar volume | 389.8 ± 7.0 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 | 9 | (1) ACD | |
NY FANANANA | sarobidy | toe-javatra | Source |
H Mpanaja | 9 | (1) ACD | |
H mpamatsy vola | 1 | (1) ACD | |
H Donor / Accas Sum | 10 | (1) ACD | |
Logp | 4.424 ± 0.618 | Temp: 25 ° C | (1) ACD |
Lanjan'ny molekiola | 528.55 |
(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 | 99.1 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 | 688.2 ± 65.0 ° C | Press: 760 Torr | (1) ACD |
Enthhalpy ny vaporization | 105.96 ± 3.0 kj / mol | Press: 760 Torr | (1) ACD |
Flash point | 370.0 ± 34.3 ° 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