C10H12N2O5 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidina-6-iray, 2,3,3a,9a-tetrah ydro-3-hydroxy-2-(hydroxymethyl)- 7-methyl-, (2R,3 R,3aS,9aR)- (9CI, ACI)
CAS rejistra laharana
22423-26-3
Toetra ara-batana fototra | sarobidy | toe-javatra |
Lanja molekiola | 240.21 | - |
Teboka fandrehitra (andrana) | 218 °C | Solvent: Ethanol; Isopropanol |
Teboka mangotraka (voavinavina) | 452.0±55.0 °C | Press: 760 Torr |
Density (voavinavina) | 1,88±0,1 g/cm3 | Mafana: 20 °C; Press: 760 Torr |
pKa (voavinavina) | 12.56±0.60 | Mafana asidra indrindra: 25 °C |
Canonical SMILES
O=C1N=C2OC3C(O)C(OC3N2C=C1C)CO
SMILES Isomerique
O[C@H]1[C@]2([C@](N3C(O2)= NC(=O)C(C)=C3)(O[C@@H]1CO)[H])[ H]
InChI
InChI= 1S/C10H12N2O5/c1-4-2-12-9-7(6(14)5(3-13)16-9)17-10(12)11-8(4)15/h2,5- 7,9,13-14H,3H2,1H3/t5-,6-,7+,9-/m1/s1
InChI Key
WLLOAUCNUMYOQI-JAGXHNFQSA-N
17 Anarana hafa ho an'ity akora ity
(2R,3 R,3aS,9aR)-2,3,3a,9a-Tetrahydro-3-hydroxy-2-(hydroxymethyl)-7-methyl-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)-7-methyl- (6CI, 7CI, 8CI); 6H-Furo
[2′,3′:4,5]oxazolo[3,2-a]pyrimidine-6-one, 2,3,3a,9a-tetrahydro-3-hydroxy-2-(hydroxymethyl)-7-methyl-, [2R-(2α,3β,3aβ,9aβ)]- (ZCI);
11: PN: US20040014699 PEJY: 18 milaza ADN; 12: PN: US20040005565 PEJY: 17- 22 milaza ADN; 12: PN: US20040005570 PEJY: 18 milaza fa ADN; 12: PN: US20040006029 PEJY: 21 milaza ADN; 12: PN: US20040014051 PEJY: 21 milaza fa ADN; 1: PN: WO20050 06958 PEJY: 59 milaza ADN; 2,2′ -Anhydro(1- β -D-arabinofuranosyl)- 5-methyluracil; 3: PN: WO2005007825 PEJY: 59 milaza ADN; 84: PN: US20040005707 PEJY: 18 milaza fa ADN; 9: PN: US20040014048 PEJY: 19 milaza fa ADN; 9: PN: US20040014049 PEJY: 19
milaza ADN;O2,2′ -Anhydro-5-methyluridine; O2,2′ -Anhydro-5-methyluridine; TK 112690
Properties misy
mafana
NY FANANANA | sarobidy | toe-javatra | Source |
Teboka fandoroana | 240-242 ° C | (1) CAS | |
Teboka fandoroana | 218 °C | Solvent: Ethanol; Isopropanol | (2) CAS |
Teboka fandoroana | Jereo ny lahatsoratra feno | (3) CAS | |
Teboka fandoroana | Jereo ny lahatsoratra feno | (4) CAS |
(1) Oliveira, Maralise P.; Journal of the Brazilian Chemical Society, (2015), 26(4), 816-821, CAplus
(2) Takatsuki, Ken-ichi; Nucleosides, Nucleotides & Nucleic Acids, (2006), 25(7), 719-734, CAplus
(3) Manoharana, Muthiah; US20030088079, A1, 2003, CAplus
(4) Miraglia, Loren J.; WO2003048315, A2, 2003, CAplus
Spectra misy
1 H NMR
13 C NMR
Hetero NMR
-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 | 12.9 | pH 1; Mafana: 25 °C | (1) ACD |
Koc | 12.9 | pH 2; Mafana: 25 °C | (1) ACD |
Koc | 12.9 | pH 3; Mafana: 25 °C | (1) ACD |
Koc | 12.9 | pH 4; Mafana: 25 °C | (1) ACD |
Koc | 12.9 | pH 5; Mafana: 25 °C | (1) ACD |
Koc | 12.9 | pH 6; Mafana: 25 °C | (1) ACD |
Koc | 12.9 | pH 7; Mafana: 25 °C | (1) ACD |
Koc | 12.9 | pH 8; Mafana: 25 °C | (1) ACD |
Koc | 12.9 | pH 9; Mafana: 25 °C | (1) ACD |
Koc | 12.9 | pH 10; Mafana: 25 °C | (1) ACD |
logD | -0.49 | pH 1; Mafana: 25 °C | (1) ACD |
logD | -0.49 | pH 2; Mafana: 25 °C | (1) ACD |
logD | -0.49 | pH 3; Mafana: 25 °C | (1) ACD |
logD | -0.49 | pH 4; Mafana: 25 °C | (1) ACD |
logD | -0.49 | pH 5; Mafana: 25 °C | (1) ACD |
logD | -0.49 | pH 6; Mafana: 25 °C | (1) ACD |
logD | -0.49 | pH 7; Mafana: 25 °C | (1) ACD |
logD | -0.49 | pH 8; Mafana: 25 °C | (1) ACD |
logD | -0.49 | pH 9; Mafana: 25 °C | (1) ACD |
logD | -0.49 | pH 10; Mafana: 25 °C | (1) ACD |
NY FANANANA | sarobidy | toe-javatra | Source |
logP | -0,491±0,556 | Mafana: 25 °C | (1) ACD |
Faobe Intrinsic Solubility | 3,1 g/L | Mafana: 25 °C | (1) ACD |
Mass Solubility | 3,1 g/L | pH 1; Mafana: 25 °C | (1) ACD |
Mass Solubility | 3,1 g/L | pH 2; Mafana: 25 °C | (1) ACD |
Mass Solubility | 3,1 g/L | pH 3; Mafana: 25 °C | (1) ACD |
Mass Solubility | 3,1 g/L | pH 4; Mafana: 25 °C | (1) ACD |
Mass Solubility | 3,1 g/L | pH 5; Mafana: 25 °C | (1) ACD |
Mass Solubility | 3,1 g/L | pH 6; Mafana: 25 °C | (1) ACD |
Mass Solubility | 3,1 g/L | pH 7; Mafana: 25 °C | (1) ACD |
Mass Solubility | 3,1 g/L | pH 8; Mafana: 25 °C | (1) ACD |
Mass Solubility | 3,1 g/L | pH 9; Mafana: 25 °C | (1) ACD |
Mass Solubility | 3,1 g/L | pH 10; Mafana: 25 °C | (1) ACD |
Mass Solubility | 3,1 g/L | Rano tsy voatazona pH 6.94; Mafana: 25 °C | (1) ACD |
Molar intrinsic solubility | 0,013 mol/L | Mafana: 25 °C | (1) ACD |
Molar Solubility | 0,013 mol/L | pH 1; Mafana: 25 °C | (1) ACD |
Molar Solubility | 0,013 mol/L | pH 2; Mafana: 25 °C | (1) ACD |
Molar Solubility | 0,013 mol/L | pH 3; Mafana: 25 °C | (1) ACD |
Molar Solubility | 0,013 mol/L | pH 4; Mafana: 25 °C | (1) ACD |
Molar Solubility | 0,013 mol/L | pH 5; Mafana: 25 °C | (1) ACD |
Molar Solubility | 0,013 mol/L | pH 6; Mafana: 25 °C | (1) ACD |
Molar Solubility | 0,013 mol/L | pH 7; Mafana: 25 °C | (1) ACD |
Molar Solubility | 0,013 mol/L | pH 8; Mafana: 25 °C | (1) ACD |
Molar Solubility | 0,013 mol/L | pH 9; Mafana: 25 °C | (1) ACD |
Molar Solubility | 0,013 mol/L | pH 10; Mafana: 25 °C | (1) ACD |
Molar Solubility | 0,013 mol/L | Rano tsy voatazona pH 6.94; Mafana: 25 °C | (1) ACD |
Lanja molekiola | 240.21 | ||
pKa | 12.56±0.60 | Mafana asidra indrindra: 25 °C | (1) ACD |
pKa | -4.36±0.60 | Ny mari-pana fototra indrindra: 25 °C | (1) ACD |
Fanerena ny etona | 4.54 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 | 1,88±0,1 g/cm3 | Mafana: 20 °C; Press: 760 Torr | (1) ACD |
Boky molar | 127.5±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 | -0,491±0,556 | Mafana: 25 °C | (1) ACD |
Lanja molekiola | 240.21 |
(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 | 452.0±55.0 °C | Press: 760 Torr | (1) ACD |
Enthalpy de evaporation | 82,04±6,0 kJ/mol | Press: 760 Torr | (1) ACD |
Flash point | 227.2±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 ⁿ
1 H NMR
13 C NMR