C10H12N2O5 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-one, 2,3,3a,9a-tetrah ydro-3-hydroxy-2-(hydroxymethyl) 7-methyl-, (2R,3 R,3aS,9aR)- (9CI, ACI)
Lambarka Diiwaanka CAS
22423-26-3
Qalabka Jidhka ee Furaha ah | Qiimaha | Xaalad |
Miisaanka Molecular | 240.21 | - |
Meesha dhalaalaysa (Tijaabo) | 218 °C | Miraha: ethanol; isopropanol |
Barta karkarinta (La saadaaliyay) | 452.0± 55.0 °C | Riix: 760 Torr |
Cufnaanta (La saadaaliyay) | 1.88± 0.1 g/cm3 | Heerkulka: 20 °C; Riix: 760 Torr |
pKa (La saadaaliyay) | 12.56± 0.60 | Heerkulka ugu acidic badan: 25 °C |
Dhoola-cadaynta Canonical
O=C1N=C2OC3C(O)C(OC3N2C=C1C)CO
Dhoola-caddeyn
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
Furaha InChi
WLLOAUCNUMYOQI-JAGXHNFQSA-N
17 Magacyo kale oo Walaxdan ah
(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-hal (ACI);
6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-hal, 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-kow, 2,3,3a,9a-tetrahydro-3-hydroxy-2-(hydroxymethyl) -7-methyl-, [2R-(2α,3β,3aβ,9aβ)]- (ZCI);
11: PN: US20040014699 PAGE: 18 ayaa sheegtay DNA; 12: PN: US20040005565 PAGE: 17- 22 ayaa sheegtay DNA; 12: PN: US20040005570 PAGE: 18 ayaa sheegtay DNA; 12: PN: US20040006029 PAGE: 21 ayaa sheegtay DNA; 12: PN: US20040014051 PAGE: 21 ayaa sheegtay DNA; 1: PN: WO20050 06958 PAGE: 59 ayaa sheegtay DNA; 2,2 '-Anhydro (1- β-D-arabinofuranosyl) - 5-methyluracil; 3: PN: WO2005007825 PAGE: 59 ayaa sheegtay DNA; 84: PN: US20040005707 PAGE: 18 ayaa sheegtay DNA; 9: PN: US20040014048 PAGE: 19 DNA sheegtay; 9: PN: US20040014049 PAGE: 19
DNA sheegtay;O2,2 "-Anhydro-5-methyluridine; O2,2′-Anhydro-5-methyluridine; TK 112690
Guryaha la heli karo
Kulul
Hanti | Qiimaha | Xaalad | Xigasho |
Meesha dhalaalaysa | 240-242 °C | (1) CAS | |
Meesha dhalaalaysa | 218 °C | Miraha: ethanol; isopropanol | (2) CAS |
Meesha dhalaalaysa | Eeg qoraalka oo dhammaystiran | (3) CAS | |
Meesha dhalaalaysa | Eeg qoraalka oo dhammaystiran | (4) CAS |
(1) Oliveira, Maralise P.; Joornaalka Bulshada Kiimikada Brazil, (2015), 26(4), 816-821, CAplus
(2) Takatsuki, Ken-ichi; Nucleosides, Nucleotides & Nucleic Acids, (2006), 25(7), 719-734, CAplus
(3) Manoharan, Mutxiah; US20030088079, A1, 2003, CAplus
(4) Miraglia, Loren J.; WO2003048315, A2, 2003, CAplus
Spectra la heli karo
1 H NMR
13 C NMR
Hetero NMR
Mass
Guryaha la heli karo
Nafley
Kiimiko
Cufnaanta
Lipinski
Qaab-dhismeedka La Xiriira
Kulul
Hanti | Qiimaha | Xaalad | Xigasho |
Qodobka bioconcentration | 1.0 | pH 1; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 1.0 | pH 2; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 1.0 | pH 3; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 1.0 | pH 4; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 1.0 | pH 5; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 1.0 | pH 6; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 1.0 | pH 7; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 1.0 | pH 8; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 1.0 | pH 9; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 1.0 | pH 10; Heerkulka: 25 °C | (1) ACD |
(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Hanti | Qiimaha | Xaalad | Xigasho |
Koc | 12.9 | pH 1; Heerkulka: 25 °C | (1) ACD |
Koc | 12.9 | pH 2; Heerkulka: 25 °C | (1) ACD |
Koc | 12.9 | pH 3; Heerkulka: 25 °C | (1) ACD |
Koc | 12.9 | pH 4; Heerkulka: 25 °C | (1) ACD |
Koc | 12.9 | pH 5; Heerkulka: 25 °C | (1) ACD |
Koc | 12.9 | pH 6; Heerkulka: 25 °C | (1) ACD |
Koc | 12.9 | pH 7; Heerkulka: 25 °C | (1) ACD |
Koc | 12.9 | pH 8; Heerkulka: 25 °C | (1) ACD |
Koc | 12.9 | pH 9; Heerkulka: 25 °C | (1) ACD |
Koc | 12.9 | pH 10; Heerkulka: 25 °C | (1) ACD |
logD | -0.49 | pH 1; Heerkulka: 25 °C | (1) ACD |
logD | -0.49 | pH 2; Heerkulka: 25 °C | (1) ACD |
logD | -0.49 | pH 3; Heerkulka: 25 °C | (1) ACD |
logD | -0.49 | pH 4; Heerkulka: 25 °C | (1) ACD |
logD | -0.49 | pH 5; Heerkulka: 25 °C | (1) ACD |
logD | -0.49 | pH 6; Heerkulka: 25 °C | (1) ACD |
logD | -0.49 | pH 7; Heerkulka: 25 °C | (1) ACD |
logD | -0.49 | pH 8; Heerkulka: 25 °C | (1) ACD |
logD | -0.49 | pH 9; Heerkulka: 25 °C | (1) ACD |
logD | -0.49 | pH 10; Heerkulka: 25 °C | (1) ACD |
Hanti | Qiimaha | Xaalad | Xigasho |
logP | -0.491±0.556 | Heerkulka: 25 °C | (1) ACD |
Solubility Mass Intrinsic | 3.1 g/L | Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 3.1 g/L | pH 1; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 3.1 g/L | pH 2; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 3.1 g/L | pH 3; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 3.1 g/L | pH 4; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 3.1 g/L | pH 5; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 3.1 g/L | pH 6; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 3.1 g/L | pH 7; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 3.1 g/L | pH 8; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 3.1 g/L | pH 9; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 3.1 g/L | pH 10; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 3.1 g/L | Biyaha aan la daboolin pH 6.94; Heerkulka: 25 °C | (1) ACD |
Solubility Intrinsic Molar | 0.013 mol/L | Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 0.013 mol/L | pH 1; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 0.013 mol/L | pH 2; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 0.013 mol/L | pH 3; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 0.013 mol/L | pH 4; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 0.013 mol/L | pH 5; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 0.013 mol/L | pH 6; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 0.013 mol/L | pH 7; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 0.013 mol/L | pH 8; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 0.013 mol/L | pH 9; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 0.013 mol/L | pH 10; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 0.013 mol/L | Biyaha aan la daboolin pH 6.94; Heerkulka: 25 °C | (1) ACD |
Miisaanka Molecular | 240.21 | ||
pKa | 12.56± 0.60 | Heerkulka ugu acidic badan: 25 °C | (1) ACD |
pKa | -4.36±0.60 | Heerkulka ugu badan ee aasaasiga ah: 25 °C | (1) ACD |
Cadaadis uumiga | 4.54 x 10-10 Torr | Heerkulka: 25 °C | (1) ACD |
(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Hanti | Qiimaha | Xaalad | Xigasho |
Cufnaanta | 1.88± 0.1 g/cm3 | Heerkulka: 20 °C; Riix: 760 Torr | (1) ACD |
Mugga Molar | 127.5 ± 7.0 cm3 / mol | Heerkulka: 20 °C; Riix: 760 Torr | (1) ACD |
(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Hanti | Qiimaha | Xaalad | Xigasho |
Boondhigyo si xor ah loo wareejin karo | 3 | (1) ACD | |
H Aqbalayaasha | 7 | (1) ACD | |
H Deeq-bixiyayaasha | 2 | (1) ACD | |
Ku-deeqaha/Aqbalka Wadarta | 9 | (1) ACD | |
logP | -0.491±0.556 | Heerkulka: 25 °C | (1) ACD |
Miisaanka Molecular | 240.21 |
(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Hanti | Qiimaha | Isha Xaaladda |
Aagga dusha sare ee Polar | 91.6 A2 | (1) ACD |
(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Hanti | Qiimaha | Xaalad | Xigasho |
Barta Karsan | 452.0± 55.0 °C | Riix: 760 Torr | (1) ACD |
Enthalpy of uumiga | 82.04± 6.0 kJ/mol | Riix: 760 Torr | (1) ACD |
Barta Fiishka | 227.2± 31.5 °C | (1) ACD |
(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra waa la heli karaa
1 H NMR
13 C NMR