C10H12N2O5 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-imodzi, 2,3,3a,9a-tetrah ydro-3-hydroxy-2-(hydroxymethyl)- 7-methyl-, (2R,3 R,3aS,9aR)- (9CI, ACI)
Nambala ya Registry ya CAS
22423-26-3
Zofunika Zathupi | Mtengo | Mkhalidwe |
Kulemera kwa Maselo | 240.21 | - |
Melting Point (Zoyeserera) | 218 ° C | Zosungunulira: Ethanol; Isopropanol |
Boiling Point (Zonenedweratu) | 452.0±55.0 °C | Press: 760 Torr |
Kachulukidwe (Zonenedweratu) | 1.88±0.1 g/cm3 | Kutentha: 20 ° C; Press: 760 Torr |
pKa (Zonenedweratu) | 12.56±0.60 | Kutentha Kwambiri kwa Acid: 25 ° C |
Canonical SMILES
O=C1N=C2OC3C(O)C(OC3N2C=C1C)CO
Isomeric AMAmwetulira
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 Maina ena a chinthu ichi
(2R,3 R,3a ndiS,9a ndiR) -2,3,3a,9a-Tetrahydro-3-hydroxy-2-(hydroxymethyl)-7-methyl-6H-furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-imodzi (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-, [2]R-(2α,3β,3aβ,9aβ)]- (ZCI);
11: PN: US20040014699 TSAMBA: 18 amati DNA; 12: PN: US20040005565 TSAMBA: 17- 22 amati DNA; 12: PN: US20040005570 TSAMBA: 18 amati DNA; 12: PN: US20040006029 TSAMBA: 21 amati DNA; 12: PN: US20040014051 TSAMBA: 21 amati DNA; 1: PN: WO20050 06958 TSAMBA: 59 amati DNA; 2,2' -Anhydro (1- β -D-arabinofuranosyl) - 5-methyluracil; 3: PN: WO2005007825 TSAMBA: 59 amati DNA; 84: PN: US20040005707 TSAMBA: 18 amati DNA; 9: PN: US20040014048 TSAMBA: 19 amati DNA; 9: PN: US20040014049 TSAMBA: 19
akuti DNA;O2,2'-Anhydro-5-methyluridine; O2,2' -Anhydro-5-methyluridine; Mtengo wa 112690
Katundu zilipo
Kutentha
Katundu | Mtengo | Mkhalidwe | Gwero |
Melting Point | 240-242 ° C | (1) CAS | |
Melting Point | 218 ° C | Zosungunulira: Ethanol; Isopropanol | (2) CAS |
Melting Point | Onani Mawu Onse | (3) CAS | |
Melting Point | Onani Mawu Onse | (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) Manoharan, Muthiah; US20030088079, A1, 2003, CAPlus
(4) Miraglia, Loren J.; WO2003048315, A2, 2003, CAPlus
Spectra ilipo
1H NMR
13 C NMR
Hetero NMR
Misa
Katundu zilipo
Zachilengedwe
Chemical
Kuchulukana
Lipinski
Zogwirizana ndi Kapangidwe
Kutentha
Katundu | Mtengo | Mkhalidwe | Gwero |
Bioconcentration Factor | 1.0 | pH 1; Kutentha: 25 ° C | (1) ACD |
Bioconcentration Factor | 1.0 | pH 2; Kutentha: 25 ° C | (1) ACD |
Bioconcentration Factor | 1.0 | pH 3; Kutentha: 25 ° C | (1) ACD |
Bioconcentration Factor | 1.0 | pH 4; Kutentha: 25 ° C | (1) ACD |
Bioconcentration Factor | 1.0 | pH 5; Kutentha: 25 ° C | (1) ACD |
Bioconcentration Factor | 1.0 | pH 6; Kutentha: 25 ° C | (1) ACD |
Bioconcentration Factor | 1.0 | pH 7; Kutentha: 25 ° C | (1) ACD |
Bioconcentration Factor | 1.0 | pH 8; Kutentha: 25 ° C | (1) ACD |
Bioconcentration Factor | 1.0 | pH 9; Kutentha: 25 ° C | (1) ACD |
Bioconcentration Factor | 1.0 | pH 10; Kutentha: 25 ° C | (1) ACD |
(1) Owerengedwa pogwiritsa ntchito Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Katundu | Mtengo | Mkhalidwe | Gwero |
Koc | 12.9 | pH 1; Kutentha: 25 ° C | (1) ACD |
Koc | 12.9 | pH 2; Kutentha: 25 ° C | (1) ACD |
Koc | 12.9 | pH 3; Kutentha: 25 ° C | (1) ACD |
Koc | 12.9 | pH 4; Kutentha: 25 ° C | (1) ACD |
Koc | 12.9 | pH 5; Kutentha: 25 ° C | (1) ACD |
Koc | 12.9 | pH 6; Kutentha: 25 ° C | (1) ACD |
Koc | 12.9 | pH 7; Kutentha: 25 ° C | (1) ACD |
Koc | 12.9 | pH 8; Kutentha: 25 ° C | (1) ACD |
Koc | 12.9 | pH 9; Kutentha: 25 ° C | (1) ACD |
Koc | 12.9 | pH 10; Kutentha: 25 ° C | (1) ACD |
logD | -0.49 | pH 1; Kutentha: 25 ° C | (1) ACD |
logD | -0.49 | pH 2; Kutentha: 25 ° C | (1) ACD |
logD | -0.49 | pH 3; Kutentha: 25 ° C | (1) ACD |
logD | -0.49 | pH 4; Kutentha: 25 ° C | (1) ACD |
logD | -0.49 | pH 5; Kutentha: 25 ° C | (1) ACD |
logD | -0.49 | pH 6; Kutentha: 25 ° C | (1) ACD |
logD | -0.49 | pH 7; Kutentha: 25 ° C | (1) ACD |
logD | -0.49 | pH 8; Kutentha: 25 ° C | (1) ACD |
logD | -0.49 | pH 9; Kutentha: 25 ° C | (1) ACD |
logD | -0.49 | pH 10; Kutentha: 25 ° C | (1) ACD |
Katundu | Mtengo | Mkhalidwe | Gwero |
logP | -0.491±0.556 | Kutentha: 25 ° C | (1) ACD |
Mass Intrinsic Solubility | 3.1g/L | Kutentha: 25 ° C | (1) ACD |
Misa Solubility | 3.1g/L | pH 1; Kutentha: 25 ° C | (1) ACD |
Misa Solubility | 3.1g/L | pH 2; Kutentha: 25 ° C | (1) ACD |
Misa Solubility | 3.1g/L | pH 3; Kutentha: 25 ° C | (1) ACD |
Misa Solubility | 3.1g/L | pH 4; Kutentha: 25 ° C | (1) ACD |
Misa Solubility | 3.1g/L | pH 5; Kutentha: 25 ° C | (1) ACD |
Misa Solubility | 3.1g/L | pH 6; Kutentha: 25 ° C | (1) ACD |
Misa Solubility | 3.1g/L | pH 7; Kutentha: 25 ° C | (1) ACD |
Misa Solubility | 3.1g/L | pH 8; Kutentha: 25 ° C | (1) ACD |
Misa Solubility | 3.1g/L | pH 9; Kutentha: 25 ° C | (1) ACD |
Misa Solubility | 3.1g/L | pH 10; Kutentha: 25 ° C | (1) ACD |
Misa Solubility | 3.1g/L | Madzi Osasunthika pH 6.94; Kutentha: 25 ° C | (1) ACD |
Molar Intrinsic Solubility | 0.013 mol / L | Kutentha: 25 ° C | (1) ACD |
Molar Solubility | 0.013 mol / L | pH 1; Kutentha: 25 ° C | (1) ACD |
Molar Solubility | 0.013 mol / L | pH 2; Kutentha: 25 ° C | (1) ACD |
Molar Solubility | 0.013 mol / L | pH 3; Kutentha: 25 ° C | (1) ACD |
Molar Solubility | 0.013 mol / L | pH 4; Kutentha: 25 ° C | (1) ACD |
Molar Solubility | 0.013 mol / L | pH 5; Kutentha: 25 ° C | (1) ACD |
Molar Solubility | 0.013 mol / L | pH 6; Kutentha: 25 ° C | (1) ACD |
Molar Solubility | 0.013 mol / L | pH 7; Kutentha: 25 ° C | (1) ACD |
Molar Solubility | 0.013 mol / L | pH 8; Kutentha: 25 ° C | (1) ACD |
Molar Solubility | 0.013 mol / L | pH 9; Kutentha: 25 ° C | (1) ACD |
Molar Solubility | 0.013 mol / L | pH 10; Kutentha: 25 ° C | (1) ACD |
Molar Solubility | 0.013 mol / L | Madzi Osasunthika pH 6.94; Kutentha: 25 ° C | (1) ACD |
Kulemera kwa Maselo | 240.21 | ||
pKa | 12.56±0.60 | Kutentha Kwambiri kwa Acid: 25 ° C | (1) ACD |
pKa | -4.36±0.60 | Kutentha Kwambiri Kwambiri: 25 °C | (1) ACD |
Kuthamanga kwa Vapor | 4.54 x 10-10 | Kutentha: 25 ° C | (1) ACD |
(1) Owerengedwa pogwiritsa ntchito Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Katundu | Mtengo | Mkhalidwe | Gwero |
Kuchulukana | 1.88±0.1 g/cm3 | Kutentha: 20 ° C; Press: 760 Torr | (1) ACD |
Molar Volume | 127.5±7.0cm3/mol | Kutentha: 20 ° C; Press: 760 Torr | (1) ACD |
(1) Owerengedwa pogwiritsa ntchito Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Katundu | Mtengo | Mkhalidwe | Gwero |
Ma Bond Osinthasintha Mwaulere | 3 | (1) ACD | |
H Olandira | 7 | (1) ACD | |
H Opereka | 2 | (1) ACD | |
H Chiwerengero cha Wopereka / Wolandira | 9 | (1) ACD | |
logP | -0.491±0.556 | Kutentha: 25 ° C | (1) ACD |
Kulemera kwa Maselo | 240.21 |
(1) Owerengedwa pogwiritsa ntchito Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Katundu | Mtengo | Condition Source |
Malo a Polar Surface | 91.6 A2 | (1) ACD |
(1) Owerengedwa pogwiritsa ntchito Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Katundu | Mtengo | Mkhalidwe | Gwero |
Boiling Point | 452.0±55.0 °C | Press: 760 Torr | (1) ACD |
Enthalpy ya vaporization | 82.04±6.0 kJ/mol | Press: 760 Torr | (1) ACD |
Pophulikira | 227.2±31.5 °C | (1) ACD |
(1) Owerengedwa pogwiritsa ntchito Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra ilipo ⁿ
1H NMR
13 C NMR