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)
Inombolo Yokubhalisa ye-CAS
22423-26-3
Izici Zomzimba Eziyinhloko | Inani | Isimo |
Isisindo samangqamuzana | 240.21 | - |
I-Melting Point (Eyokuhlola) | 218 °C | I-solvent: I-Ethanol; Isopropanol |
Iphoyinti lokubilisa (elibikezelwe) | 452.0±55.0 °C | Cindezela: 760 Torr |
Ukuminyana (Kubikezelwe) | 1.88±0.1 g/cm3 | Izinga lokushisa: 20 °C; Cindezela: 760 Torr |
pKa (Kubikezelwe) | 12.56±0.60 | Izinga Le-Acidic Elikhulu: 25 °C |
I-Canonical SMILES
O=C1N=C2OC3C(O)C(OC3N2C=C1C)CO
I-Isomeric SMILES
O[C@H]1[C@]2([C@](N3C(O2)= NC(=O)C(C)=C3)(O[C@@H]1CO)[H])[ H]
I-InChI
I-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
Ukhiye we-InchI
WLLOAUCNUMYOQI-JAGXHNFQSA-N
17 Amanye Amagama Alesi Sitho
(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-Futhi
[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 IKHASI: I-DNA engu-18 efunwa; 12: PN: US20040005565 IKHASI: 17- 22 okufunwa i-DNA; 12: PN: US20040005570 IKHASI: I-DNA engu-18 efunwa; 12: PN: US20040006029 IKHASI: 21 okufunwa i-DNA; 12: PN: US20040014051 IKHASI: I-DNA engu-21 efunwa; 1: PN: WO20050 06958 IKHASI: I-DNA engu-59 efunwa; 2,2′ -Anhydro (1- β -D-arabinofuranosyl) - 5-methyluracil; 3: PN: WO2005007825 IKHASI: I-DNA engu-59 efunwa; 84: PN: US20040005707 IKHASI: I-DNA eyi-18 efunwa; 9: PN: US20040014048 IKHASI: I-DNA engu-19 efunwa; 9: PN: US20040014049 IKHASI: 19
i-DNA;O2,2' -Anhydro-5-methyluridine; O2,2' -Anhydro-5-methyluridine; I-TK 112690
Izakhiwo ezitholakalayo
Okushisayo
Impahla | Inani | Isimo | Umthombo |
I-Melting Point | 240-242 °C | (1) I-CAS | |
I-Melting Point | 218 °C | I-solvent: I-Ethanol; Isopropanol | (2) I-CAS |
I-Melting Point | Bheka Umbhalo Ogcwele | (3) I-CAS | |
I-Melting Point | Bheka Umbhalo Ogcwele | (4) I-CAS |
(1) Oliveira, Maralise P.; Ijenali ye-Brazilian Chemical Society, (2015), 26(4), 816-821, CAplus
(2) Takatsuki, Ken-ichi; Ama-Nucleosides, Nucleotides & Nucleic Acids, (2006), 25(7), 719-734, CAplus
(3) uManoharan, uMuthiya; US20030088079, A1, 2003, CAPlus
(4) Miraglia, Loren J.; WO2003048315, A2, 2003, CAPlus
I-Spectra iyatholakala
1 H NMR
13 C NMR
I-Hetero NMR
IMisa
Izakhiwo ezitholakalayo
I-Biological
Amakhemikhali
Ukuminyana
I-Lipinski
Okuhlobene Nesakhiwo
Okushisayo
Impahla | Inani | Isimo | Umthombo |
I-Bioconcentration Factor | 1.0 | pH 1; Izinga lokushisa: 25 °C | (1) ACD |
I-Bioconcentration Factor | 1.0 | pH 2; Izinga lokushisa: 25 °C | (1) ACD |
I-Bioconcentration Factor | 1.0 | pH 3; Izinga lokushisa: 25 °C | (1) ACD |
I-Bioconcentration Factor | 1.0 | i-pH 4; Izinga lokushisa: 25 °C | (1) ACD |
I-Bioconcentration Factor | 1.0 | pH 5; Izinga lokushisa: 25 °C | (1) ACD |
I-Bioconcentration Factor | 1.0 | pH 6; Izinga lokushisa: 25 °C | (1) ACD |
I-Bioconcentration Factor | 1.0 | pH 7; Izinga lokushisa: 25 °C | (1) ACD |
I-Bioconcentration Factor | 1.0 | pH 8; Izinga lokushisa: 25 °C | (1) ACD |
I-Bioconcentration Factor | 1.0 | pH 9; Izinga lokushisa: 25 °C | (1) ACD |
I-Bioconcentration Factor | 1.0 | pH 10; Izinga lokushisa: 25 °C | (1) ACD |
(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Impahla | Inani | Isimo | Umthombo |
Koc | 12.9 | pH 1; Izinga lokushisa: 25 °C | (1) ACD |
Koc | 12.9 | pH 2; Izinga lokushisa: 25 °C | (1) ACD |
Koc | 12.9 | pH 3; Izinga lokushisa: 25 °C | (1) ACD |
Koc | 12.9 | i-pH 4; Izinga lokushisa: 25 °C | (1) ACD |
Koc | 12.9 | pH 5; Izinga lokushisa: 25 °C | (1) ACD |
Koc | 12.9 | pH 6; Izinga lokushisa: 25 °C | (1) ACD |
Koc | 12.9 | pH 7; Izinga lokushisa: 25 °C | (1) ACD |
Koc | 12.9 | pH 8; Izinga lokushisa: 25 °C | (1) ACD |
Koc | 12.9 | pH 9; Izinga lokushisa: 25 °C | (1) ACD |
Koc | 12.9 | pH 10; Izinga lokushisa: 25 °C | (1) ACD |
logD | -0.49 | pH 1; Izinga lokushisa: 25 °C | (1) ACD |
logD | -0.49 | pH 2; Izinga lokushisa: 25 °C | (1) ACD |
logD | -0.49 | pH 3; Izinga lokushisa: 25 °C | (1) ACD |
logD | -0.49 | i-pH 4; Izinga lokushisa: 25 °C | (1) ACD |
logD | -0.49 | pH 5; Izinga lokushisa: 25 °C | (1) ACD |
logD | -0.49 | pH 6; Izinga lokushisa: 25 °C | (1) ACD |
logD | -0.49 | pH 7; Izinga lokushisa: 25 °C | (1) ACD |
logD | -0.49 | pH 8; Izinga lokushisa: 25 °C | (1) ACD |
logD | -0.49 | pH 9; Izinga lokushisa: 25 °C | (1) ACD |
logD | -0.49 | pH 10; Izinga lokushisa: 25 °C | (1) ACD |
Impahla | Inani | Isimo | Umthombo |
logP | -0.491±0.556 | Izinga lokushisa: 25 °C | (1) ACD |
I-Mass Intrinsic Solubility | 3.1 g/L | Izinga lokushisa: 25 °C | (1) ACD |
I-Mass Solubility | 3.1 g/L | pH 1; Izinga lokushisa: 25 °C | (1) ACD |
I-Mass Solubility | 3.1 g/L | pH 2; Izinga lokushisa: 25 °C | (1) ACD |
I-Mass Solubility | 3.1 g/L | pH 3; Izinga lokushisa: 25 °C | (1) ACD |
I-Mass Solubility | 3.1 g/L | i-pH 4; Izinga lokushisa: 25 °C | (1) ACD |
I-Mass Solubility | 3.1 g/L | pH 5; Izinga lokushisa: 25 °C | (1) ACD |
I-Mass Solubility | 3.1 g/L | pH 6; Izinga lokushisa: 25 °C | (1) ACD |
I-Mass Solubility | 3.1 g/L | pH 7; Izinga lokushisa: 25 °C | (1) ACD |
I-Mass Solubility | 3.1 g/L | pH 8; Izinga lokushisa: 25 °C | (1) ACD |
I-Mass Solubility | 3.1 g/L | pH 9; Izinga lokushisa: 25 °C | (1) ACD |
I-Mass Solubility | 3.1 g/L | pH 10; Izinga lokushisa: 25 °C | (1) ACD |
I-Mass Solubility | 3.1 g/L | Amanzi Angakhiqiziwe pH 6.94; Izinga lokushisa: 25 °C | (1) ACD |
I-Molar Intrinsic Solubility | 0.013 mol/L | Izinga lokushisa: 25 °C | (1) ACD |
I-Molar Solubility | 0.013 mol/L | pH 1; Izinga lokushisa: 25 °C | (1) ACD |
I-Molar Solubility | 0.013 mol/L | pH 2; Izinga lokushisa: 25 °C | (1) ACD |
I-Molar Solubility | 0.013 mol/L | pH 3; Izinga lokushisa: 25 °C | (1) ACD |
I-Molar Solubility | 0.013 mol/L | i-pH 4; Izinga lokushisa: 25 °C | (1) ACD |
I-Molar Solubility | 0.013 mol/L | pH 5; Izinga lokushisa: 25 °C | (1) ACD |
I-Molar Solubility | 0.013 mol/L | pH 6; Izinga lokushisa: 25 °C | (1) ACD |
I-Molar Solubility | 0.013 mol/L | pH 7; Izinga lokushisa: 25 °C | (1) ACD |
I-Molar Solubility | 0.013 mol/L | pH 8; Izinga lokushisa: 25 °C | (1) ACD |
I-Molar Solubility | 0.013 mol/L | pH 9; Izinga lokushisa: 25 °C | (1) ACD |
I-Molar Solubility | 0.013 mol/L | pH 10; Izinga lokushisa: 25 °C | (1) ACD |
I-Molar Solubility | 0.013 mol/L | Amanzi Angakhiqiziwe pH 6.94; Izinga lokushisa: 25 °C | (1) ACD |
Isisindo samangqamuzana | 240.21 | ||
pKa | 12.56±0.60 | Izinga Le-Acidic Elikhulu: 25 °C | (1) ACD |
pKa | -4.36±0.60 | Izinga Lokushisa Eziyisisekelo: 25 °C | (1) ACD |
I-Vapor Pressure | 4.54 x 10-10 Torr | Izinga lokushisa: 25 °C | (1) ACD |
(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Impahla | Inani | Isimo | Umthombo |
Ukuminyana | 1.88±0.1 g/cm3 | Izinga lokushisa: 20 °C; Cindezela: 760 Torr | (1) ACD |
Ivolumu ye-Molar | 127.5±7.0 cm3/mol | Izinga lokushisa: 20 °C; Cindezela: 760 Torr | (1) ACD |
(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Impahla | Inani | Isimo | Umthombo |
Amabhondi Ashintshashintshayo Ngokukhululekile | 3 | (1) ACD | |
H Abamukelayo | 7 | (1) ACD | |
H Abanikeli | 2 | (1) ACD | |
H Isamba Somnikeli/Umamukeli | 9 | (1) ACD | |
logP | -0.491±0.556 | Izinga lokushisa: 25 °C | (1) ACD |
Isisindo samangqamuzana | 240.21 |
(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Impahla | Inani | Umthombo Wesimo |
Indawo ye-Polar Surface | 91.6 A2 | (1) ACD |
(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Impahla | Inani | Isimo | Umthombo |
Iphuzu elibilayo | 452.0±55.0 °C | Cindezela: 760 Torr | (1) ACD |
I-Enthalpy ye-Vaporization | 82.04±6.0 kJ/mol | Cindezela: 760 Torr | (1) ACD |
I-Flash Point | 227.2±31.5 °C | (1) ACD |
(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
I-Spectra iyatholakala ⁿ
1 H NMR
13 C NMR