C10H12N2O5 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-imwe, 2,3,3a,9a-tetrah ydro-3-hydroxy-2-(hydroxymethyl)- 7-methyl-, (2R,3 R,3aS,9aR)- (9CI, ACI)
CAS Registry Nhamba
22423-26-3
Zvinhu Zvinokosha Zvemuviri | Value | Condition |
Molecular Weight | 240.21 | - |
Melting Point (Yekuedza) | 218 °C | Solvent: Ethanol; Isopropanol |
Boiling Poindi (Yakafanotaurwa) | 452.0±55.0 °C | Dhinda: 760 Torr |
Density (zvakafanotaurwa) | 1.88±0.1 g/cm3 | Tembiricha: 20 °C; Dhinda: 760 Torr |
pKa (Zvakafanotaurwa) | 12.56±0.60 | Yakanyanya Acid Temp: 25 °C |
Canonical SMILES
O=C1N=C2OC3C(O)C(OC3N2C=C1C)CO
Isomeric SMILES
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 Mamwe Mazita eChinhu ichi
(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]pyrimidin-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]pyrimidin-6-one, 2,3,3a,9a-tetrahydro-3-hydroxy-2-(hydroxymethyl)-7-methyl-, [2R-(2α,3β,3aβ,9aβ)]- (ZCI);
11: PN: US20040014699 PEJI: 18 inonzi DNA; 12: PN: US20040005565 PEJI: 17- 22 inonzi DNA; 12: PN: US20040005570 PEJI: 18 inonzi DNA; 12: PN: US20040006029 PEJI: 21 inonzi DNA; 12: PN: US20040014051 PEJI: 21 inonzi DNA; 1: PN: WO20050 06958 PEJI: 59 inonzi DNA; 2,2′ -Anhydro(1- β -D-arabinofuranosyl)- 5-methyluracil; 3: PN: WO2005007825 PEJI: 59 inonzi DNA; 84: PN: US20040005707 PEJI: 18 inonzi DNA; 9: PN: US20040014048 PEJI: 19 inonzi DNA; 9: PN: US20040014049 PEJI: 19
inonzi DNA;O2,2′ -Anhydro-5-methyluridine; O2,2′ -Anhydro-5-methyluridine; TK 112690
Properties iripo
Thermal
Property | Value | Condition | Source |
Melting Point | 240-242 °C | (1) CAS | |
Melting Point | 218 °C | Solvent: Ethanol; Isopropanol | (2) CAS |
Melting Point | Ona Rugwaro Rwakazara | (3) CAS | |
Melting Point | Ona Rugwaro Rwakazara | (4) CAS |
(1) Oliveira, Maralise P.; Chinyorwa cheBrazilian Chemical Society, (2015), 26(4), 816-821, CAplus
(2) Takatsuki, Ken-ichi; Nucleosides, Nucleotides & Nucleic Acids, (2006), 25(7), 719-734, CAplus
(3) Manoharani, Mutiya; US20030088079, A1, 2003, CAPlus
(4) Miraglia, Loren J.; WO2003048315, A2, 2003, CAPlus
Spectra inowanikwa
1 H NMR
13 C NMR
Hetero NMR
Misa
Properties iripo
Biological
Chemical
Density
Lipinski
Chimiro Chinoenderana
Thermal
Property | Value | Condition | Source |
Bioconcentration Factor | 1.0 | pH 1; Tembiricha: 25 °C | (1) ACD |
Bioconcentration Factor | 1.0 | pH 2; Tembiricha: 25 °C | (1) ACD |
Bioconcentration Factor | 1.0 | pH 3; Tembiricha: 25 °C | (1) ACD |
Bioconcentration Factor | 1.0 | pH 4; Tembiricha: 25 °C | (1) ACD |
Bioconcentration Factor | 1.0 | pH 5; Tembiricha: 25 °C | (1) ACD |
Bioconcentration Factor | 1.0 | pH 6; Tembiricha: 25 °C | (1) ACD |
Bioconcentration Factor | 1.0 | pH 7; Tembiricha: 25 °C | (1) ACD |
Bioconcentration Factor | 1.0 | pH 8; Tembiricha: 25 °C | (1) ACD |
Bioconcentration Factor | 1.0 | pH 9; Tembiricha: 25 °C | (1) ACD |
Bioconcentration Factor | 1.0 | pH 10; Tembiricha: 25 °C | (1) ACD |
(1) Yakaverengwa uchishandisa Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Property | Value | Condition | Source |
Koc | 12.9 | pH 1; Tembiricha: 25 °C | (1) ACD |
Koc | 12.9 | pH 2; Tembiricha: 25 °C | (1) ACD |
Koc | 12.9 | pH 3; Tembiricha: 25 °C | (1) ACD |
Koc | 12.9 | pH 4; Tembiricha: 25 °C | (1) ACD |
Koc | 12.9 | pH 5; Tembiricha: 25 °C | (1) ACD |
Koc | 12.9 | pH 6; Tembiricha: 25 °C | (1) ACD |
Koc | 12.9 | pH 7; Tembiricha: 25 °C | (1) ACD |
Koc | 12.9 | pH 8; Tembiricha: 25 °C | (1) ACD |
Koc | 12.9 | pH 9; Tembiricha: 25 °C | (1) ACD |
Koc | 12.9 | pH 10; Tembiricha: 25 °C | (1) ACD |
logD | -0.49 | pH 1; Tembiricha: 25 °C | (1) ACD |
logD | -0.49 | pH 2; Tembiricha: 25 °C | (1) ACD |
logD | -0.49 | pH 3; Tembiricha: 25 °C | (1) ACD |
logD | -0.49 | pH 4; Tembiricha: 25 °C | (1) ACD |
logD | -0.49 | pH 5; Tembiricha: 25 °C | (1) ACD |
logD | -0.49 | pH 6; Tembiricha: 25 °C | (1) ACD |
logD | -0.49 | pH 7; Tembiricha: 25 °C | (1) ACD |
logD | -0.49 | pH 8; Tembiricha: 25 °C | (1) ACD |
logD | -0.49 | pH 9; Tembiricha: 25 °C | (1) ACD |
logD | -0.49 | pH 10; Tembiricha: 25 °C | (1) ACD |
Property | Value | Condition | Source |
logP | -0.491±0.556 | Tembiricha: 25 °C | (1) ACD |
Mass Intrinsic Solubility | 3.1 g/L | Tembiricha: 25 °C | (1) ACD |
Mass Solubility | 3.1 g/L | pH 1; Tembiricha: 25 °C | (1) ACD |
Mass Solubility | 3.1 g/L | pH 2; Tembiricha: 25 °C | (1) ACD |
Mass Solubility | 3.1 g/L | pH 3; Tembiricha: 25 °C | (1) ACD |
Mass Solubility | 3.1 g/L | pH 4; Tembiricha: 25 °C | (1) ACD |
Mass Solubility | 3.1 g/L | pH 5; Tembiricha: 25 °C | (1) ACD |
Mass Solubility | 3.1 g/L | pH 6; Tembiricha: 25 °C | (1) ACD |
Mass Solubility | 3.1 g/L | pH 7; Tembiricha: 25 °C | (1) ACD |
Mass Solubility | 3.1 g/L | pH 8; Tembiricha: 25 °C | (1) ACD |
Mass Solubility | 3.1 g/L | pH 9; Tembiricha: 25 °C | (1) ACD |
Mass Solubility | 3.1 g/L | pH 10; Tembiricha: 25 °C | (1) ACD |
Mass Solubility | 3.1 g/L | Unbuffered Mvura pH 6.94; Tembiricha: 25 °C | (1) ACD |
Molar Intrinsic Solubility | 0.013 mol/L | Tembiricha: 25 °C | (1) ACD |
Molar Solubility | 0.013 mol/L | pH 1; Tembiricha: 25 °C | (1) ACD |
Molar Solubility | 0.013 mol/L | pH 2; Tembiricha: 25 °C | (1) ACD |
Molar Solubility | 0.013 mol/L | pH 3; Tembiricha: 25 °C | (1) ACD |
Molar Solubility | 0.013 mol/L | pH 4; Tembiricha: 25 °C | (1) ACD |
Molar Solubility | 0.013 mol/L | pH 5; Tembiricha: 25 °C | (1) ACD |
Molar Solubility | 0.013 mol/L | pH 6; Tembiricha: 25 °C | (1) ACD |
Molar Solubility | 0.013 mol/L | pH 7; Tembiricha: 25 °C | (1) ACD |
Molar Solubility | 0.013 mol/L | pH 8; Tembiricha: 25 °C | (1) ACD |
Molar Solubility | 0.013 mol/L | pH 9; Tembiricha: 25 °C | (1) ACD |
Molar Solubility | 0.013 mol/L | pH 10; Tembiricha: 25 °C | (1) ACD |
Molar Solubility | 0.013 mol/L | Unbuffered Mvura pH 6.94; Tembiricha: 25 °C | (1) ACD |
Molecular Weight | 240.21 | ||
pKa | 12.56±0.60 | Yakanyanya Acid Temp: 25 °C | (1) ACD |
pKa | -4.36±0.60 | Yakanyanya Basic Temp: 25 °C | (1) ACD |
Vapor Pressure | 4.54 x 10-10 Torr | Tembiricha: 25 °C | (1) ACD |
(1) Yakaverengwa uchishandisa Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Property | Value | Condition | Source |
Density | 1.88±0.1 g/cm3 | Tembiricha: 20 °C; Dhinda: 760 Torr | (1) ACD |
Molar Volume | 127.5±7.0 cm3/mol | Tembiricha: 20 °C; Dhinda: 760 Torr | (1) ACD |
(1) Yakaverengwa uchishandisa Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Property | Value | Condition | Source |
Zvakasununguka Zvisungo Zvinotenderera | 3 | (1) ACD | |
H Vagamuchiri | 7 | (1) ACD | |
H Vanopa | 2 | (1) ACD | |
H Donor/Acceptor Sum | 9 | (1) ACD | |
logP | -0.491±0.556 | Tembiricha: 25 °C | (1) ACD |
Molecular Weight | 240.21 |
(1) Yakaverengwa uchishandisa Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Property | Value | Condition Source |
Nzvimbo yePolar Surface | 91.6 A2 | (1) ACD |
(1) Yakaverengwa uchishandisa Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Property | Value | Condition | Source |
Boiling Point | 452.0±55.0 °C | Dhinda: 760 Torr | (1) ACD |
Enthalpy yeVaporization | 82.04±6.0 kJ/mol | Dhinda: 760 Torr | (1) ACD |
Flash Point | 227.2±31.5 °C | (1) ACD |
(1) Yakaverengwa uchishandisa Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra iripo ⁿ
1 H NMR
13 C NMR