C10H12N2O5 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-daya, 2,3,3a,9a-tetrah ydro-3-hydroxy-2-(hydroxymethyl) 7-methyl-, (2R,3 R,3aS,9aR)- (9CI, ACI)
Lambar Rijistar CAS
22423-26-3
Mabuɗin Abubuwan Jiki | Daraja | Yanayi |
Nauyin Kwayoyin Halitta | 240.21 | - |
Wurin narkewa (Gwaji) | 218 ° C | Mai narkewa: ethanol; isopropanol |
Wurin tafasa (An annabta) | 452.0± 55.0 °C | Latsa: 760 Torr |
Girma (An annabta) | 1.88± 0.1 g/cm3 | Zazzabi: 20 ° C; Latsa: 760 Torr |
pKa (An annabta) | 12.56± 0.60 | Mafi yawan zafin jiki: 25 ° C |
MURMUSHI na Canonical
O=C1N=C2OC3C(O)C(OC3N2C=C1C)CO
MURMUSHI
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
Wasu Sunaye 17 na wannan Abu
(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-daya (ACI);
6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-daya, 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-daya, 2,3,3a,9a-tetrahydro-3-hydroxy-2-(hydroxymethyl) -7-methyl-, [2R(2α,3β,3aβ,9aβ)]- (ZCI);
11: PN: US20040014699 SHAFI: 18 da'awar DNA; 12: PN: US20040005565 SHAFI: 17- 22 da'awar DNA; 12: PN: US20040005570 SHAFI: 18 da'awar DNA; 12: PN: US20040006029 SHAFI: 21 da'awar DNA; 12: PN: US20040014051 SHAFI: 21 da'awar DNA; 1: PN: WO20050 06958 SHAFI: 59 da'awar DNA; 2,2'-Anhydro (1- β-D-arabinofuranosyl) - 5-methyluracil; 3: PN: WO2005007825 SHAFI: 59 da'awar DNA; 84: PN: US20040005707 SHAFI: 18 da'awar DNA; 9: PN: US20040014048 SHAFI: 19 da'awar DNA; 9: PN: US20040014049 SHAFI: 19
da'awar DNA;O2,2 '-Anhydro-5-methyluridine; O2,2'-Anhydro-5-methyluridine; Farashin 112690
Properties akwai
Thermal
Dukiya | Daraja | Yanayi | Source |
Matsayin narkewa | 240-242 ° C | (1) CAS | |
Matsayin narkewa | 218 ° C | Mai narkewa: ethanol; isopropanol | (2) CAS |
Matsayin narkewa | Duba Cikakken Rubutu | (3) CAS | |
Matsayin narkewa | Duba Cikakken Rubutu | (4) CAS |
(1) Oliveira, Maralise P.; Jaridar Brazilian Chemical Society, (2015), 26(4), 816-821, CAplus
(2) Takatsuki, Ken-ichi; Nucleosides, Nucleotides & Nucleic Acids, (2006), 25 (7), 719-734, CAplus
(3) Manoharan, Muthiah; US20030088079, A1, 2003, CAplus
(4) Miraglia, Loren J.; WO2003048315, A2, 2003, CAplus
Spectra yana samuwa
1 H NMR
13 C NMR
Farashin NMR
Mass
Properties akwai
Halittu
Chemical
Yawan yawa
Lipinski
Tsarin Yanayi
Thermal
Dukiya | Daraja | Yanayi | Source |
Factor na Bioconcentration | 1.0 | pH da 1; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 1.0 | pH da 2; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 1.0 | pH da 3; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 1.0 | pH da 4; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 1.0 | pH da 5; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 1.0 | pH da 6; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 1.0 | pH da 7; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 1.0 | pH da 8; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 1.0 | pH da 9; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 1.0 | pH 10; Zazzabi: 25 ° C | (1) ACD |
(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Dukiya | Daraja | Yanayi | Source |
Koc | 12.9 | pH da 1; Zazzabi: 25 ° C | (1) ACD |
Koc | 12.9 | pH da 2; Zazzabi: 25 ° C | (1) ACD |
Koc | 12.9 | pH da 3; Zazzabi: 25 ° C | (1) ACD |
Koc | 12.9 | pH da 4; Zazzabi: 25 ° C | (1) ACD |
Koc | 12.9 | pH da 5; Zazzabi: 25 ° C | (1) ACD |
Koc | 12.9 | pH da 6; Zazzabi: 25 ° C | (1) ACD |
Koc | 12.9 | pH da 7; Zazzabi: 25 ° C | (1) ACD |
Koc | 12.9 | pH da 8; Zazzabi: 25 ° C | (1) ACD |
Koc | 12.9 | pH da 9; Zazzabi: 25 ° C | (1) ACD |
Koc | 12.9 | pH 10; Zazzabi: 25 ° C | (1) ACD |
logD | -0.49 | pH da 1; Zazzabi: 25 ° C | (1) ACD |
logD | -0.49 | pH da 2; Zazzabi: 25 ° C | (1) ACD |
logD | -0.49 | pH da 3; Zazzabi: 25 ° C | (1) ACD |
logD | -0.49 | pH da 4; Zazzabi: 25 ° C | (1) ACD |
logD | -0.49 | pH da 5; Zazzabi: 25 ° C | (1) ACD |
logD | -0.49 | pH da 6; Zazzabi: 25 ° C | (1) ACD |
logD | -0.49 | pH da 7; Zazzabi: 25 ° C | (1) ACD |
logD | -0.49 | pH da 8; Zazzabi: 25 ° C | (1) ACD |
logD | -0.49 | pH da 9; Zazzabi: 25 ° C | (1) ACD |
logD | -0.49 | pH 10; Zazzabi: 25 ° C | (1) ACD |
Dukiya | Daraja | Yanayi | Source |
logP | -0.491± 0.556 | Zazzabi: 25 ° C | (1) ACD |
Mass Intrinsic Solubility | 3.1 g/L | Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 3.1 g/L | pH da 1; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 3.1 g/L | pH da 2; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 3.1 g/L | pH da 3; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 3.1 g/L | pH da 4; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 3.1 g/L | pH da 5; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 3.1 g/L | pH da 6; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 3.1 g/L | pH da 7; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 3.1 g/L | pH da 8; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 3.1 g/L | pH da 9; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 3.1 g/L | pH 10; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 3.1 g/L | Ruwan da ba a buƙata ba pH 6.94; Zazzabi: 25 ° C | (1) ACD |
Solubility na Ciki na Molar | 0.013 mol/L | Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 0.013 mol/L | pH da 1; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 0.013 mol/L | pH da 2; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 0.013 mol/L | pH da 3; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 0.013 mol/L | pH da 4; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 0.013 mol/L | pH da 5; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 0.013 mol/L | pH da 6; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 0.013 mol/L | pH da 7; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 0.013 mol/L | pH da 8; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 0.013 mol/L | pH da 9; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 0.013 mol/L | pH 10; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 0.013 mol/L | Ruwan da ba a buƙata ba pH 6.94; Zazzabi: 25 ° C | (1) ACD |
Nauyin Kwayoyin Halitta | 240.21 | ||
pKa | 12.56± 0.60 | Mafi yawan zafin jiki: 25 ° C | (1) ACD |
pKa | -4.36±0.60 | Mafi Asalin Zazzabi: 25 ° C | (1) ACD |
Ruwan Ruwa | 4.54 x 10-10 Torr | Zazzabi: 25 ° C | (1) ACD |
(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Dukiya | Daraja | Yanayi | Source |
Yawan yawa | 1.88± 0.1 g/cm3 | Zazzabi: 20 ° C; Latsa: 760 Torr | (1) ACD |
Ƙarar Molar | 127.5± 7.0 cm3/mol | Zazzabi: 20 ° C; Latsa: 760 Torr | (1) ACD |
(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Dukiya | Daraja | Yanayi | Source |
Ƙimar Rarraba Kyauta | 3 | (1) ACD | |
H Masu karɓa | 7 | (1) ACD | |
H Masu Ba da taimako | 2 | (1) ACD | |
H Donor/Acceptor Sum | 9 | (1) ACD | |
logP | -0.491± 0.556 | Zazzabi: 25 ° C | (1) ACD |
Nauyin Kwayoyin Halitta | 240.21 |
(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Dukiya | Daraja | Tushen yanayi |
Wuri Mai Girma | 91.6 A2 | (1) ACD |
(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Dukiya | Daraja | Yanayi | Source |
Wurin Tafasa | 452.0± 55.0 °C | Latsa: 760 Torr | (1) ACD |
Enthalpy na Vaporization | 82.04± 6.0 kJ/mol | Latsa: 760 Torr | (1) ACD |
Wurin Flash | 227.2± 31.5 °C | (1) ACD |
(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra akwai
1 H NMR
13 C NMR