C9H10N2O5 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidine-6-iray, 2,3,3a,9a-tetrah ydro-3-hydroxy-2-(hydroxymethyl)- , (2R,3 R,3aS,9aR)- (9CI, ACI)
CAS rejistra laharana
3736-77-4
Toetra ara-batana fototra | sarobidy | toe-javatra |
Lanja molekiola | 226.19 | - |
Teboka fandrehitra (andrana) | 234-235 °C | - |
Teboka mangotraka (voavinavina) | 456,3±55,0 °C | Press: 760 Torr |
Density (voavinavina) | 2,01±0,1 g/cm3 | Mafana: 20 °C; Press: 760 Torr |
pKa (voavinavina) | 12.55±0.40 | Mafana asidra indrindra: 25 °C |
Canonical SMILES
O=C1N=C2OC3C(O)C(OC3N2C=C1)CO
SMILES Isomerique
O[C@H]1[C@]2([C@](N3C(O2)= NC(=O)C=C3)(O[C@@H]1CO)[H])[H]
InChI
InChI= 1S/C9H10N2O5/c12-3-4-6(14)7-8(15-4)11-2-1-5(13)10-9(11)16-7/h1-2,4, 6-8,12,14H,3H2/t4-,6-,7+,8-/m1/s1
InChI Key
UUGITDASWNOAGG-CCXZUQQUSA-N
13 Anarana hafa ho an'ity akora ity
(2R,3 R,3aS,9aR)-2,3,3a,9a-Tetrahydro-3-hydroxy-2-(hydroxymethyl)-6H-furo[2′,3′:4,5]oxazolo[3,2] -a]pyrimidin-6-one (ACI); 6H-Furo[2′, 3′:4,5]oxazolo[3,2-a]pyrimidine-6-one, 2,3,3a,9a-tetrahydro-3-hydroxy-2-(hydroxymethyl)- (6CI , 7CI); 6H-Furo[2′,3′:4,5]oxazolo[3,2-a] pyrimidine-6-one, 2,3,3a,9a-tetrahydro-3-hydroxy-2-(hydroxymethyl)-, [ 2R-(2α,3β,3aβ,9aβ)]- (ZCI); 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]
pyrimidine-6-one, 2,3,3a,9a-tetrahydro-3-hydroxy-2-(hydroxymethyl)-, stereoisomer (8CI); 2,2′ -Anhydro(1- β -D-arabinofuranosyl)uracil; 2,2′ -Anhydro-1- β -D-arabino-furanosyluracil; 2,2′ -Anhydro-N1-(β -D-arabinofuranosyl)uracil; 2,2′ -Anhydrouridine; 2,2′ -O-Cyclouridine; NSC 157148; O2,2′ -Anhydrouridine; O2,2′ -Cyclouridine; β -D-2′,2-O-Cycloarabinouridine
Properties misy
Optical sy Scattering
mafana
NY FANANANA | sarobidy | toe-javatra | Source |
Herin'ny Rotatory Optical | -19 deg | Solvent: Metanol; λ: 589,3 nm; Mafana: 26 °C | (1) CAS |
(1) Codington, John F.; Journal of the American Chemical Society, (1961), 83, 5030-1, CAplus
NY FANANANA | sarobidy | toe-javatra | Source |
Teboka fandoroana | 250-253 °C | (1) CAS | |
Teboka fandoroana | 246 °C | Solvent: Ethanol; Isopropanol | (2) CAS |
Teboka fandoroana | 242-245 °C | (3) CAS | |
Teboka fandoroana | 242-243 °C | (4) CAS | |
Teboka fandoroana | 236-238 °C (fanimbana) | (5) CAS | |
Teboka fandoroana | 234 °C | (6) CAS | |
Teboka fandoroana | 234-235 °C | (7) CAS | |
Teboka fandoroana | 233-234 °C (fanimbana) | Solvent: Metanol | (8) CAS |
Teboka fandoroana | Jereo ny lahatsoratra feno | (9) CAS |
(1) Lin, Kun-I.; Journal of the Chinese Chemical Society (Taipei, Taiwan), (2007), 54(2), 563-568, CAplus
(2) Takatsuki, Ken-ichi; Nucleosides, Nucleotides & Nucleic Acids, (2006), 25(7), 719-734, CAplus
(3) Wnuk, Stanislaw F.; Journal of Organic Chemistry, (2002), 67(6), 1816-1819, CAplus
(4) Szlenkier, Maurycy; Nucleosides, Nucleotides & Acids Nucleic, (2016), 35(8), 410-425, CAplus
(5) Marumoto, Ryuji; Takeda Kenkyusho Nenpo, (1967), 26, 21-3, CAplus
(6) Krizmanic, Irena; Tetrahedron, (2003), 59(23), 4047-4057, CAplus
(7) Brown, DM; Journal of the Chemical Society, (1958), 3035-8, CAplus
(8) Li, Heting; Synthetic Communications, (2006), 36(14), 1933-1940, CAplus
(9) Codington, John F.; Journal of the American Chemical Society, (1961), 83, 5030-1, CAplus
Spectra misy
1 H NMR
13 C NMR
IR
Spectra misy
-bahoaka
Properties misy
niteraka
simika
hakitroky
Lipinski
Structure Related
mafana
NY FANANANA | sarobidy | toe-javatra | Source |
Bioconcentration Factor | 1.0 | pH 1; Mafana: 25 °C | (1) ACD |
Bioconcentration Factor | 1.0 | pH 2; Mafana: 25 °C | (1) ACD |
Bioconcentration Factor | 1.0 | pH 3; Mafana: 25 °C | (1) ACD |
Bioconcentration Factor | 1.0 | pH 4; Mafana: 25 °C | (1) ACD |
Bioconcentration Factor | 1.0 | pH 5; Mafana: 25 °C | (1) ACD |
Bioconcentration Factor | 1.0 | pH 6; Mafana: 25 °C | (1) ACD |
Bioconcentration Factor | 1.0 | pH 7; Mafana: 25 °C | (1) ACD |
Bioconcentration Factor | 1.0 | pH 8; Mafana: 25 °C | (1) ACD |
Bioconcentration Factor | 1.0 | pH 9; Mafana: 25 °C | (1) ACD |
Bioconcentration Factor | 1.0 | pH 10; Mafana: 25 °C | (1) ACD |
(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
NY FANANANA | sarobidy | toe-javatra | Source |
Koc | 7.66 | pH 1; Mafana: 25 °C | (1) ACD |
Koc | 7.66 | pH 2; Mafana: 25 °C | (1) ACD |
Koc | 7.66 | pH 3; Mafana: 25 °C | (1) ACD |
Koc | 7.66 | pH 4; Mafana: 25 °C | (1) ACD |
Koc | 7.66 | pH 5; Mafana: 25 °C | (1) ACD |
Koc | 7.66 | pH 6; Mafana: 25 °C | (1) ACD |
Koc | 7.66 | pH 7; Mafana: 25 °C | (1) ACD |
Koc | 7.66 | pH 8; Mafana: 25 °C | (1) ACD |
NY FANANANA | sarobidy | toe-javatra | Source |
Koc | 7.66 | pH 9; Mafana: 25 °C | (1) ACD |
Koc | 7.64 | pH 10; Mafana: 25 °C | (1) ACD |
logD | -0.91 | pH 1; Mafana: 25 °C | (1) ACD |
logD | -0.91 | pH 2; Mafana: 25 °C | (1) ACD |
logD | -0.91 | pH 3; Mafana: 25 °C | (1) ACD |
logD | -0.91 | pH 4; Mafana: 25 °C | (1) ACD |
logD | -0.91 | pH 5; Mafana: 25 °C | (1) ACD |
logD | -0.91 | pH 6; Mafana: 25 °C | (1) ACD |
logD | -0.91 | pH 7; Mafana: 25 °C | (1) ACD |
logD | -0.91 | pH 8; Mafana: 25 °C | (1) ACD |
logD | -0.91 | pH 9; Mafana: 25 °C | (1) ACD |
logD | -0.91 | pH 10; Mafana: 25 °C | (1) ACD |
logP | -0,906±0,555 | Mafana: 25 °C | (1) ACD |
Faobe Intrinsic Solubility | 4,7 g/L | Mafana: 25 °C | (1) ACD |
Mass Solubility | 4,7 g/L | pH 1; Mafana: 25 °C | (1) ACD |
Mass Solubility | 4,7 g/L | pH 2; Mafana: 25 °C | (1) ACD |
Mass Solubility | 4,7 g/L | pH 3; Mafana: 25 °C | (1) ACD |
Mass Solubility | 4,7 g/L | pH 4; Mafana: 25 °C | (1) ACD |
Mass Solubility | 4,7 g/L | pH 5; Mafana: 25 °C | (1) ACD |
Mass Solubility | 4,7 g/L | pH 6; Mafana: 25 °C | (1) ACD |
Mass Solubility | 4,7 g/L | pH 7; Mafana: 25 °C | (1) ACD |
Mass Solubility | 4,7 g/L | pH 8; Mafana: 25 °C | (1) ACD |
Mass Solubility | 4,7 g/L | pH 9; Mafana: 25 °C | (1) ACD |
Mass Solubility | 4,7 g/L | pH 10; Mafana: 25 °C | (1) ACD |
Mass Solubility | 4,7 g/L | Rano tsy voaaro pH 6.91; Mafana: 25 °C | (1) ACD |
Molar intrinsic solubility | 0,021 mol/L | Mafana: 25 °C | (1) ACD |
Molar Solubility | 0,021 mol/L | pH 1; Mafana: 25 °C | (1) ACD |
Molar Solubility | 0,021 mol/L | pH 2; Mafana: 25 °C | (1) ACD |
Molar Solubility | 0,021 mol/L | pH 3; Mafana: 25 °C | (1) ACD |
Molar Solubility | 0,021 mol/L | pH 4; Mafana: 25 °C | (1) ACD |
Molar Solubility | 0,021 mol/L | pH 5; Mafana: 25 °C | (1) ACD |
Molar Solubility | 0,021 mol/L | pH 6; Mafana: 25 °C | (1) ACD |
NY FANANANA | sarobidy | toe-javatra | Source |
Molar Solubility | 0,021 mol/L | pH 7; Mafana: 25 °C | (1) ACD |
Molar Solubility | 0,021 mol/L | pH 8; Mafana: 25 °C | (1) ACD |
Molar Solubility | 0,021 mol/L | pH 9; Mafana: 25 °C | (1) ACD |
Molar Solubility | 0,021 mol/L | pH 10; Mafana: 25 °C | (1) ACD |
Molar Solubility | 0,021 mol/L | Rano tsy voaaro pH 6.91; Mafana: 25 °C | (1) ACD |
Lanja molekiola | 226.19 | ||
pKa | 12.55±0.40 | Mafana asidra indrindra: 25 °C | (1) ACD |
pKa | -4.68±0.60 | Ny mari-pana fototra indrindra: 25 °C | (1) ACD |
Fanerena ny etona | 3.04 x 10-10 Torr | Mafana: 25 °C | (1) ACD |
(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
NY FANANANA | sarobidy | toe-javatra | Source |
hakitroky | 2,01±0,1 g/cm3 | Mafana: 20 °C; Press: 760 Torr | (1) ACD |
Boky molar | 112.3±7.0 cm3/mol | Mafana: 20 °C; Press: 760 Torr | (1) ACD |
(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
NY FANANANA | sarobidy | toe-javatra | Source |
Fatorana azo ahodina malalaka | 3 | (1) ACD | |
H Acceptors | 7 | (1) ACD | |
H Mpanome | 2 | (1) ACD | |
H Donor/Acceptor Sum | 9 | (1) ACD | |
logP | -0,906±0,555 | Mafana: 25 °C | (1) ACD |
Lanja molekiola | 226.19 |
(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
NY FANANANA | sarobidy | Loharanon'ny toe-javatra |
Faritra ambonin'ny polar | 91.6 A2 | (1) ACD |
(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
NY FANANANA | sarobidy | toe-javatra | Source |
Teboka mangotraka | 456,3±55,0 °C | Press: 760 Torr | (1) ACD |
NY FANANANA | sarobidy | toe-javatra | Source |
Enthalpy de evaporation | 82,62±6,0 kJ/mol | Press: 760 Torr | (1) ACD |
Flash point | 229,8±31,5 °C | (1) ACD |
(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra misy
1 H NMR
13 C NMR
Loharanon'ny fanambarana loza mitatao | |
H302 Manimba raha atelina | Fanasokajiana & fametahana marika Eoropeana Chemical Agency (ECHA). Inventory - Fanasokajiana sy fametahana fampandrenesana - fampandrenesana mahazatra indrindra, European Chemical Agency (ECHA) Fanasokajiana & fametahana marika - Fanasokajiana sy fametahana marika - fampandrenesana lehibe indrindra |