C10H12N2O5 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-tasi, 2,3,3a,9a-tetrah ydro-3-hydroxy-2-(hydroxymethyl)- 7-methyl-, (2R,3 R,3aS,9aR)- (9CI, ACI)
Numera Resitala CAS
22423-26-3
Meatotino Faaletino Autu | Taua | Tulaga |
Molecular Weight | 240.21 | - |
Lisi Lisi (Fa'ata'ita'i) | 218 °C | Solvent: Ethanol; Isopropanol |
Fa'apuna (Va'ai) | 452.0±55.0 °C | Lomitusi: 760 Torr |
To'atele (Va'ai) | 1.88±0.1 g/cm3 | Maalili: 20 °C; Lomitusi: 760 Torr |
pKa (vala'aina) | 12.56±0.60 | Le Tele o le Asi Sua: 25 °C |
ATAITAU Canonical
O=C1N=C2OC3C(O)C(OC3N2C=C1C)CO
Isomeric SMILES
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 Ki
WLLOAUCNUMYOQI-JAGXHNFQSA-N
17 Isi Igoa mo lea mea
(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-tasi (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 ITULAU: 18 fai mai DNA; 12: PN: US20040005565 ITULAU: 17- 22 fai mai DNA; 12: PN: US20040005570 ITULAU: 18 fai mai DNA; 12: PN: US20040006029 ITULAU: 21 fai mai DNA; 12: PN: US20040014051 ITULAU: 21 fai mai DNA; 1: PN: WO20050 06958 ITULAU: 59 fai mai DNA; 2,2′ -Anhydro(1- β -D-arabinofuranosyl)- 5-methyluracil; 3: PN: WO2005007825 ITULAU: 59 fai mai DNA; 84: PN: US20040005707 ITULAU: 18 fai mai DNA; 9: PN: US20040014048 ITULAU: 19 fai mai DNA; 9: PN: US20040014049 ITULAU: 19
DNA fai mai;O2,2′ -Anhydro-5-methyluridine; O2,2′ -Anhydro-5-methyluridine; TK 112690
Meatotino avanoa
Mafanafana
Meatotino | Taua | Tulaga | Punavai |
Lisi Lisi | 240-242 °C | (1) CAS | |
Lisi Lisi | 218 °C | Solvent: Ethanol; Isopropanol | (2) CAS |
Lisi Lisi | Va'ai Tusitusiga Atoa | (3) CAS | |
Lisi Lisi | Va'ai Tusitusiga Atoa | (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) Manohara, Mutia; US20030088079, A1, 2003, CAplus
(4) Miraglia, Loren J.; WO2003048315, A2, 2003, CAplus
Spectra avanoabl
1 H NMR
13 C NMR
Hetero NMR
Misasa
Meatotino avanoa
Fa'aolaola
Kemisi
Malosi
Lipinski
Fauga Faatatau
Mafanafana
Meatotino | Taua | Tulaga | Punavai |
Bioconcentration Factor | 1.0 | pH 1; Maalili: 25 °C | (1) ACD |
Bioconcentration Factor | 1.0 | pH 2; Maalili: 25 °C | (1) ACD |
Bioconcentration Factor | 1.0 | pH 3; Maalili: 25 °C | (1) ACD |
Bioconcentration Factor | 1.0 | pH 4; Maalili: 25 °C | (1) ACD |
Bioconcentration Factor | 1.0 | pH 5; Maalili: 25 °C | (1) ACD |
Bioconcentration Factor | 1.0 | pH 6; Maalili: 25 °C | (1) ACD |
Bioconcentration Factor | 1.0 | pH 7; Maalili: 25 °C | (1) ACD |
Bioconcentration Factor | 1.0 | pH 8; Maalili: 25 °C | (1) ACD |
Bioconcentration Factor | 1.0 | pH 9; Maalili: 25 °C | (1) ACD |
Bioconcentration Factor | 1.0 | pH 10; Maalili: 25 °C | (1) ACD |
(1) Fa'atatau i le fa'aaogaina o le Atina'eina o Kemisi Maualuga (ACD/Labs) Polokalama V11.02 (© 1994-2023 ACD/Labs)
Meatotino | Taua | Tulaga | Punavai |
Koc | 12.9 | pH 1; Maalili: 25 °C | (1) ACD |
Koc | 12.9 | pH 2; Maalili: 25 °C | (1) ACD |
Koc | 12.9 | pH 3; Maalili: 25 °C | (1) ACD |
Koc | 12.9 | pH 4; Maalili: 25 °C | (1) ACD |
Koc | 12.9 | pH 5; Maalili: 25 °C | (1) ACD |
Koc | 12.9 | pH 6; Maalili: 25 °C | (1) ACD |
Koc | 12.9 | pH 7; Maalili: 25 °C | (1) ACD |
Koc | 12.9 | pH 8; Maalili: 25 °C | (1) ACD |
Koc | 12.9 | pH 9; Maalili: 25 °C | (1) ACD |
Koc | 12.9 | pH 10; Maalili: 25 °C | (1) ACD |
ogalaauD | -0.49 | pH 1; Maalili: 25 °C | (1) ACD |
ogalaauD | -0.49 | pH 2; Maalili: 25 °C | (1) ACD |
ogalaauD | -0.49 | pH 3; Maalili: 25 °C | (1) ACD |
ogalaauD | -0.49 | pH 4; Maalili: 25 °C | (1) ACD |
ogalaauD | -0.49 | pH 5; Maalili: 25 °C | (1) ACD |
ogalaauD | -0.49 | pH 6; Maalili: 25 °C | (1) ACD |
ogalaauD | -0.49 | pH 7; Maalili: 25 °C | (1) ACD |
ogalaauD | -0.49 | pH 8; Maalili: 25 °C | (1) ACD |
ogalaauD | -0.49 | pH 9; Maalili: 25 °C | (1) ACD |
ogalaauD | -0.49 | pH 10; Maalili: 25 °C | (1) ACD |
Meatotino | Taua | Tulaga | Punavai |
logP | -0.491±0.556 | Maalili: 25 °C | (1) ACD |
Mass Intrinsic Solubility | 3.1 g/L | Maalili: 25 °C | (1) ACD |
Mass Solubility | 3.1 g/L | pH 1; Maalili: 25 °C | (1) ACD |
Mass Solubility | 3.1 g/L | pH 2; Maalili: 25 °C | (1) ACD |
Mass Solubility | 3.1 g/L | pH 3; Maalili: 25 °C | (1) ACD |
Mass Solubility | 3.1 g/L | pH 4; Maalili: 25 °C | (1) ACD |
Mass Solubility | 3.1 g/L | pH 5; Maalili: 25 °C | (1) ACD |
Mass Solubility | 3.1 g/L | pH 6; Maalili: 25 °C | (1) ACD |
Mass Solubility | 3.1 g/L | pH 7; Maalili: 25 °C | (1) ACD |
Mass Solubility | 3.1 g/L | pH 8; Maalili: 25 °C | (1) ACD |
Mass Solubility | 3.1 g/L | pH 9; Maalili: 25 °C | (1) ACD |
Mass Solubility | 3.1 g/L | pH 10; Maalili: 25 °C | (1) ACD |
Mass Solubility | 3.1 g/L | Suavai e le fa'asaoina pH 6.94; Maalili: 25 °C | (1) ACD |
Molar Intrinsic Solubility | 0.013 mol/L | Maalili: 25 °C | (1) ACD |
Molar Solubility | 0.013 mol/L | pH 1; Maalili: 25 °C | (1) ACD |
Molar Solubility | 0.013 mol/L | pH 2; Maalili: 25 °C | (1) ACD |
Molar Solubility | 0.013 mol/L | pH 3; Maalili: 25 °C | (1) ACD |
Molar Solubility | 0.013 mol/L | pH 4; Maalili: 25 °C | (1) ACD |
Molar Solubility | 0.013 mol/L | pH 5; Maalili: 25 °C | (1) ACD |
Molar Solubility | 0.013 mol/L | pH 6; Maalili: 25 °C | (1) ACD |
Molar Solubility | 0.013 mol/L | pH 7; Maalili: 25 °C | (1) ACD |
Molar Solubility | 0.013 mol/L | pH 8; Maalili: 25 °C | (1) ACD |
Molar Solubility | 0.013 mol/L | pH 9; Maalili: 25 °C | (1) ACD |
Molar Solubility | 0.013 mol/L | pH 10; Maalili: 25 °C | (1) ACD |
Molar Solubility | 0.013 mol/L | Suavai e le fa'asaoina pH 6.94; Maalili: 25 °C | (1) ACD |
Molecular Weight | 240.21 | ||
pKa | 12.56±0.60 | Le Tele o le Asi Sua: 25 °C | (1) ACD |
pKa | -4.36±0.60 | Tele Su'esu'ega Autu: 25 °C | (1) ACD |
Omiga ausa | 4.54 x 10-10 Torr | Maalili: 25 °C | (1) ACD |
(1) Fa'atatau i le fa'aaogaina o le Atina'eina o Kemisi Maualuga (ACD/Labs) Polokalama V11.02 (© 1994-2023 ACD/Labs)
Meatotino | Taua | Tulaga | Punavai |
Malosi | 1.88±0.1 g/cm3 | Maalili: 20 °C; Lomitusi: 760 Torr | (1) ACD |
Molar Volume | 127.5±7.0 cm3/mol | Maalili: 20 °C; Lomitusi: 760 Torr | (1) ACD |
(1) Fa'atatau i le fa'aaogaina o le Atina'eina o Kemisi Maualuga (ACD/Labs) Polokalama V11.02 (© 1994-2023 ACD/Labs)
Meatotino | Taua | Tulaga | Punavai |
Noanoaga e mafai ona fesuia'i saoloto | 3 | (1) ACD | |
H Tagata talia | 7 | (1) ACD | |
H Donors | 2 | (1) ACD | |
H Fa'ameaalofa/Tagata Talia | 9 | (1) ACD | |
logP | -0.491±0.556 | Maalili: 25 °C | (1) ACD |
Molecular Weight | 240.21 |
(1) Fa'atatau i le fa'aaogaina o le Atina'eina o Kemisi Maualuga (ACD/Labs) Polokalama V11.02 (© 1994-2023 ACD/Labs)
Meatotino | Taua | Tulaga Punavai |
Polar Surface Area | 91.6 A2 | (1) ACD |
(1) Fa'atatau i le fa'aaogaina o le Atina'eina o Kemisi Maualuga (ACD/Labs) Polokalama V11.02 (© 1994-2023 ACD/Labs)
Meatotino | Taua | Tulaga | Punavai |
Fa'apuna | 452.0±55.0 °C | Lomitusi: 760 Torr | (1) ACD |
Entalpy o le Ausa | 82.04±6.0 kJ/mol | Lomitusi: 760 Torr | (1) ACD |
Mata'imu | 227.2±31.5 °C | (1) ACD |
(1) Fa'atatau i le fa'aaogaina o le Atina'eina o Kemisi Maualuga (ACD/Labs) Polokalama V11.02 (© 1994-2023 ACD/Labs)
Spectra avanoa ⁿ
1 H NMR
13 C NMR