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)
Nomoro ea Registry ea CAS
22423-26-3
Lintho Tsa Bohlokoa Tsa 'Mele | Boleng | Boemo |
Boima ba Molek'hule | 240.21 | - |
Melting Point (Teko) | 218 °C | Solvent: Ethanol; Isopropanol |
Sebaka se belang (Se boletsoeng esale pele) | 452.0±55.0 °C | Tobetsa: 760 Torr |
Boima (bo boletsoeng esale pele) | 1.88±0.1 g/cm3 | Mocheso: 20 °C; Tobetsa: 760 Torr |
pKa (E boletsoeng esale pele) | 12.56±0,60 | Mocheso o nang le Asiti ka ho Fetisisa: 25 °C |
Canonical POSISO
O=C1N=C2OC3C(O)C(OC3N2C=C1C)CO
Isomeric SOSOA
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
Senotlolo sa InChi
WLLOAUCNUMYOQI-JAGXHNFQSA-N
17 Mabitso a Mang a Ntho ena
(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 LEQEPHE: 18 e tseka DNA; 12: PN: US20040005565 LEQEPHE: 17- 22 e tsekang DNA; 12: PN: US20040005570 LEQEPHE: 18 e bolela DNA; 12: PN: US20040006029 LEQEPHE: 21 e bolela DNA; 12: PN: US20040014051 LEQEPHE: 21 e bolela DNA; 1: PN: WO20050 06958 LEQEPHE: 59 e tseka DNA; 2,2' -Anhydro (1- β -D-arabinofuranosyl) - 5-methyluracil; 3: PN: WO2005007825 LEQEPHE: 59 e bolela DNA; 84: PN: US20040005707 LEQEPHE: 18 e bolela DNA; 9: PN: US20040014048 LEQEPHE: 19 e bolela DNA; 9: PN: US20040014049 LEQEPHE: 19
ho thoe ke DNA;O2,2' -Anhydro-5-methyluridine; O2,2' -Anhydro-5-methyluridine; TK 112690
Thepa e teng
Mocheso
Thepa | Boleng | Boemo | Mohloli |
Melting Point | 240-242 °C | (1) CAS | |
Melting Point | 218 °C | Solvent: Ethanol; Isopropanol | (2) CAS |
Melting Point | Sheba Temana e Feletseng | (3) CAS | |
Melting Point | Sheba Temana e Feletseng | (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) Manoharane, Muthiah; US20030088079, A1, 2003, CAPlus
(4) Miraglia, Loren J.; WO2003048315, A2, 2003, CAPlus
Spectra e teng
1 H NMR
13 C NMR
Hetero NMR
Mmisa
Thepa e teng
Likokoana-hloko
Lik'hemik'hale
Botenya
Lipinski
Sebopeho se Amanang
Mocheso
Thepa | Boleng | Boemo | Mohloli |
Bioconcentration Factor | 1.0 | pH 1; Mocheso: 25 °C | (1) ACD |
Bioconcentration Factor | 1.0 | pH 2; Mocheso: 25 °C | (1) ACD |
Bioconcentration Factor | 1.0 | pH 3; Mocheso: 25 °C | (1) ACD |
Bioconcentration Factor | 1.0 | pH 4; Mocheso: 25 °C | (1) ACD |
Bioconcentration Factor | 1.0 | pH 5; Mocheso: 25 °C | (1) ACD |
Bioconcentration Factor | 1.0 | pH 6; Mocheso: 25 °C | (1) ACD |
Bioconcentration Factor | 1.0 | pH 7; Mocheso: 25 °C | (1) ACD |
Bioconcentration Factor | 1.0 | pH 8; Mocheso: 25 °C | (1) ACD |
Bioconcentration Factor | 1.0 | pH 9; Mocheso: 25 °C | (1) ACD |
Bioconcentration Factor | 1.0 | pH 10; Mocheso: 25 °C | (1) ACD |
(1) E baloang ho sebelisoa Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Thepa | Boleng | Boemo | Mohloli |
Koc | 12.9 | pH 1; Mocheso: 25 °C | (1) ACD |
Koc | 12.9 | pH 2; Mocheso: 25 °C | (1) ACD |
Koc | 12.9 | pH 3; Mocheso: 25 °C | (1) ACD |
Koc | 12.9 | pH 4; Mocheso: 25 °C | (1) ACD |
Koc | 12.9 | pH 5; Mocheso: 25 °C | (1) ACD |
Koc | 12.9 | pH 6; Mocheso: 25 °C | (1) ACD |
Koc | 12.9 | pH 7; Mocheso: 25 °C | (1) ACD |
Koc | 12.9 | pH 8; Mocheso: 25 °C | (1) ACD |
Koc | 12.9 | pH 9; Mocheso: 25 °C | (1) ACD |
Koc | 12.9 | pH 10; Mocheso: 25 °C | (1) ACD |
logD | -0.49 | pH 1; Mocheso: 25 °C | (1) ACD |
logD | -0.49 | pH 2; Mocheso: 25 °C | (1) ACD |
logD | -0.49 | pH 3; Mocheso: 25 °C | (1) ACD |
logD | -0.49 | pH 4; Mocheso: 25 °C | (1) ACD |
logD | -0.49 | pH 5; Mocheso: 25 °C | (1) ACD |
logD | -0.49 | pH 6; Mocheso: 25 °C | (1) ACD |
logD | -0.49 | pH 7; Mocheso: 25 °C | (1) ACD |
logD | -0.49 | pH 8; Mocheso: 25 °C | (1) ACD |
logD | -0.49 | pH 9; Mocheso: 25 °C | (1) ACD |
logD | -0.49 | pH 10; Mocheso: 25 °C | (1) ACD |
Thepa | Boleng | Boemo | Mohloli |
logP | -0.491±0.556 | Mocheso: 25 °C | (1) ACD |
Mass Intrinsic Sollubility | 3.1 g/L | Mocheso: 25 °C | (1) ACD |
Ho qhibiliha ka bongata | 3.1 g/L | pH 1; Mocheso: 25 °C | (1) ACD |
Ho qhibiliha ka bongata | 3.1 g/L | pH 2; Mocheso: 25 °C | (1) ACD |
Ho qhibiliha ka bongata | 3.1 g/L | pH 3; Mocheso: 25 °C | (1) ACD |
Ho qhibiliha ka bongata | 3.1 g/L | pH 4; Mocheso: 25 °C | (1) ACD |
Ho qhibiliha ka bongata | 3.1 g/L | pH 5; Mocheso: 25 °C | (1) ACD |
Ho qhibiliha ka bongata | 3.1 g/L | pH 6; Mocheso: 25 °C | (1) ACD |
Ho qhibiliha ka bongata | 3.1 g/L | pH 7; Mocheso: 25 °C | (1) ACD |
Ho qhibiliha ka bongata | 3.1 g/L | pH 8; Mocheso: 25 °C | (1) ACD |
Ho qhibiliha ka bongata | 3.1 g/L | pH 9; Mocheso: 25 °C | (1) ACD |
Ho qhibiliha ka bongata | 3.1 g/L | pH 10; Mocheso: 25 °C | (1) ACD |
Ho qhibiliha ka bongata | 3.1 g/L | Metsi a sa tsitsang pH 6.94; Mocheso: 25 °C | (1) ACD |
Molar Intrinsic Solubility | 0.013 mol/L | Mocheso: 25 °C | (1) ACD |
Molar Solubility | 0.013 mol/L | pH 1; Mocheso: 25 °C | (1) ACD |
Molar Solubility | 0.013 mol/L | pH 2; Mocheso: 25 °C | (1) ACD |
Molar Solubility | 0.013 mol/L | pH 3; Mocheso: 25 °C | (1) ACD |
Molar Solubility | 0.013 mol/L | pH 4; Mocheso: 25 °C | (1) ACD |
Molar Solubility | 0.013 mol/L | pH 5; Mocheso: 25 °C | (1) ACD |
Molar Solubility | 0.013 mol/L | pH 6; Mocheso: 25 °C | (1) ACD |
Molar Solubility | 0.013 mol/L | pH 7; Mocheso: 25 °C | (1) ACD |
Molar Solubility | 0.013 mol/L | pH 8; Mocheso: 25 °C | (1) ACD |
Molar Solubility | 0.013 mol/L | pH 9; Mocheso: 25 °C | (1) ACD |
Molar Solubility | 0.013 mol/L | pH 10; Mocheso: 25 °C | (1) ACD |
Molar Solubility | 0.013 mol/L | Metsi a sa tsitsang pH 6.94; Mocheso: 25 °C | (1) ACD |
Boima ba Molek'hule | 240.21 | ||
pKa | 12.56±0,60 | Mocheso o nang le Asiti ka ho Fetisisa: 25 °C | (1) ACD |
pKa | -4,36±0,60 | Mocheso ka ho Fetisisa oa Motheo: 25 °C | (1) ACD |
Khatello ea Mouoane | 4.54 x 10-10 Torr | Mocheso: 25 °C | (1) ACD |
(1) E baloang ho sebelisoa Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Thepa | Boleng | Boemo | Mohloli |
Botenya | 1.88±0.1 g/cm3 | Mocheso: 20 °C; Tobetsa: 760 Torr | (1) ACD |
Molumo oa Molar | 127.5±7.0 cm3/mol | Mocheso: 20 °C; Tobetsa: 760 Torr | (1) ACD |
(1) E baloang ho sebelisoa Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Thepa | Boleng | Boemo | Mohloli |
Li-Bonds tse ka fetolehang ka bolokolohi | 3 | (1) ACD | |
H Ba amohelang | 7 | (1) ACD | |
H Bafani | 2 | (1) ACD | |
H Kakaretso ea Mofani/Moamoheli | 9 | (1) ACD | |
logP | -0.491±0.556 | Mocheso: 25 °C | (1) ACD |
Boima ba Molek'hule | 240.21 |
(1) E baloang ho sebelisoa Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Thepa | Boleng | Mohloli oa Boemo |
Sebaka sa Polar Surface | 91.6 A2 | (1) ACD |
(1) E baloang ho sebelisoa Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Thepa | Boleng | Boemo | Mohloli |
Ntlha e belang | 452.0±55.0 °C | Tobetsa: 760 Torr | (1) ACD |
Enthalpy ea vaporization | 82.04±6.0 kJ/mol | Tobetsa: 760 Torr | (1) ACD |
Flash point | 227.2±31.5 °C | (1) ACD |
(1) E baloang ho sebelisoa Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra e teng ⁿ
1 H NMR
13 C NMR