C9H10N2O5 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-tasi, 2,3,3a,9a-tetrah ydro-3-hydroxy-2-(hydroxymethyl)- , (2R,3 R,3aS,9aR)- (9CI, ACI)
Numera Resitala CAS
3736-77-4
Meatotino Faaletino Autu | Taua | Tulaga |
Molecular Weight | 226.19 | - |
Lisi Lisi (Fa'ata'ita'i) | 234-235 °C | - |
Fa'apuna (Va'ai) | 456.3±55.0 °C | Lomitusi: 760 Torr |
To'atele (Va'ai) | 2.01±0.1 g/cm3 | Maalili: 20 °C; Lomitusi: 760 Torr |
pKa (vala'aina) | 12.55±0.40 | Le Tele o le Asi Sua: 25 °C |
ATAITAU Canonical
O=C1N=C2OC3C(O)C(OC3N2C=C1)CO
Isomeric SMILES
O[C@H]1[C@]2([C@](N3C(O2)= NC(=O)C=C3)(O[C@@H]1CO)[H])[H]
InChI
InChI= 1S/C9H10N2O5/c12-3-4-6(14)7-8(15-4)11-2-1-5(13)10-9(11)16-7/h1-2,4, 6-8,12,14H,3H2/t4-,6-,7+,8-/m1/s1
InChI Ki
UUGITDASWNOAGG-CCXZUQQUSA-N
13 Isi Igoa mo lea mea
(2R,3 R,3aS,9aR)-2,3,3a,9a-Tetrahydro-3-hydroxy-2-(hydroxymethyl)-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)- (6CI , 7CI); 6H-Furo[2′,3′:4,5]oxazolo[3,2-a] pyrimidin-6-one, 2,3,3a,9a-tetrahydro-3-hydroxy-2-(hydroxymethyl)-, [ 2R-(2α,3β,3aβ,9aβ)]- (ZCI); 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]
pyrimidin-6-tasi, 2,3,3a,9a-tetrahydro-3-hydroxy-2-(hydroxymethyl)-, stereoisomer (8CI); 2,2′ -Anhydro(1- β -D-arabinofuranosyl)uracil; 2,2′ -Anhydro-1- β -D-arabino-furanosyluracil; 2,2′ -Anhydro-N1-(β -D-arabinofuranosyl)uracil; 2,2′ -Anhydrouridine; 2,2′ -O-Cyclouridine; NSC 157148; O2,2′ -Anhydrouridine; O2,2′ -Cyclouridine; β -D-2′,2-O-Cycloarabinouridine
Meatotino avanoa
Optical ma Fa'asalalau
Mafanafana
Meatotino | Taua | Tulaga | Punavai |
Malosi Fa'ata'amilo Mata | -19 deg | Solvent: Methanol; λ: 589.3 nm; Maalili: 26 °C | (1) CAS |
(1) Codington, John F.; Tusitala a le American Chemical Society, (1961), 83, 5030-1, CAplus
Meatotino | Taua | Tulaga | Punavai |
Lisi Lisi | 250-253 °C | (1) CAS | |
Lisi Lisi | 246 °C | Solvent: Ethanol; Isopropanol | (2) CAS |
Lisi Lisi | 242-245 °C | (3) CAS | |
Lisi Lisi | 242-243 °C | (4) CAS | |
Lisi Lisi | 236-238 °C (fa'apala) | (5) CAS | |
Lisi Lisi | 234 °C | (6) CAS | |
Lisi Lisi | 234-235 °C | (7) CAS | |
Lisi Lisi | 233-234 °C (fa'apala) | Solvent: Methanol | (8) CAS |
Lisi Lisi | Va'ai Tusitusiga Atoa | (9) CAS |
(1) Lin, Kun-I.; Journal of the Chinese Chemical Society (Taipei, Taiwan), (2007), 54(2), 563-568, CAplus
(2) Takatsuki, Ken-ichi; Nucleosides, Nucleotides & Nucleic Acids, (2006), 25(7), 719-734, CAplus
(3) Wnuk, Stanislaw F.; Journal of Organic Chemistry, (2002), 67(6), 1816-1819, CAplus
(4) Szlenkier, Maurycy; Nucleosides, Nucleotides & Nucleic Acids, (2016), 35(8), 410-425, CAplus
(5) Marumoto, Ryuji; Takeda Kenkyusho Nenpo, (1967), 26, 21-3, CAplus
(6) Krizmanic, Irena; Tetrahedron, (2003), 59(23), 4047-4057, CAplus
(7) Brown, DM; Journal of the Chemical Society, (1958), 3035-8, CAplus
(8) Li, Heting; Feso'ota'iga fa'akomepiuta, (2006), 36(14), 1933-1940, CAplus
(9) Codington, John F.; Tusitala a le American Chemical Society, (1961), 83, 5030-1, CAplus
Spectra avanoa
1 H NMR
13 C NMR
IR
Spectra avanoa
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 | 7.66 | pH 1; Maalili: 25 °C | (1) ACD |
Koc | 7.66 | pH 2; Maalili: 25 °C | (1) ACD |
Koc | 7.66 | pH 3; Maalili: 25 °C | (1) ACD |
Koc | 7.66 | pH 4; Maalili: 25 °C | (1) ACD |
Koc | 7.66 | pH 5; Maalili: 25 °C | (1) ACD |
Koc | 7.66 | pH 6; Maalili: 25 °C | (1) ACD |
Koc | 7.66 | pH 7; Maalili: 25 °C | (1) ACD |
Koc | 7.66 | pH 8; Maalili: 25 °C | (1) ACD |
Meatotino | Taua | Tulaga | Punavai |
Koc | 7.66 | pH 9; Maalili: 25 °C | (1) ACD |
Koc | 7.64 | pH 10; Maalili: 25 °C | (1) ACD |
ogalaauD | -0.91 | pH 1; Maalili: 25 °C | (1) ACD |
ogalaauD | -0.91 | pH 2; Maalili: 25 °C | (1) ACD |
ogalaauD | -0.91 | pH 3; Maalili: 25 °C | (1) ACD |
ogalaauD | -0.91 | pH 4; Maalili: 25 °C | (1) ACD |
ogalaauD | -0.91 | pH 5; Maalili: 25 °C | (1) ACD |
ogalaauD | -0.91 | pH 6; Maalili: 25 °C | (1) ACD |
ogalaauD | -0.91 | pH 7; Maalili: 25 °C | (1) ACD |
ogalaauD | -0.91 | pH 8; Maalili: 25 °C | (1) ACD |
ogalaauD | -0.91 | pH 9; Maalili: 25 °C | (1) ACD |
ogalaauD | -0.91 | pH 10; Maalili: 25 °C | (1) ACD |
logP | -0.906±0.555 | Maalili: 25 °C | (1) ACD |
Mass Intrinsic Solubility | 4.7 g/L | Maalili: 25 °C | (1) ACD |
Mass Solubility | 4.7 g/L | pH 1; Maalili: 25 °C | (1) ACD |
Mass Solubility | 4.7 g/L | pH 2; Maalili: 25 °C | (1) ACD |
Mass Solubility | 4.7 g/L | pH 3; Maalili: 25 °C | (1) ACD |
Mass Solubility | 4.7 g/L | pH 4; Maalili: 25 °C | (1) ACD |
Mass Solubility | 4.7 g/L | pH 5; Maalili: 25 °C | (1) ACD |
Mass Solubility | 4.7 g/L | pH 6; Maalili: 25 °C | (1) ACD |
Mass Solubility | 4.7 g/L | pH 7; Maalili: 25 °C | (1) ACD |
Mass Solubility | 4.7 g/L | pH 8; Maalili: 25 °C | (1) ACD |
Mass Solubility | 4.7 g/L | pH 9; Maalili: 25 °C | (1) ACD |
Mass Solubility | 4.7 g/L | pH 10; Maalili: 25 °C | (1) ACD |
Mass Solubility | 4.7 g/L | Suavai e le fa'afefe pH 6.91; Maalili: 25 °C | (1) ACD |
Molar Intrinsic Solubility | 0.021 mol/L | Maalili: 25 °C | (1) ACD |
Molar Solubility | 0.021 mol/L | pH 1; Maalili: 25 °C | (1) ACD |
Molar Solubility | 0.021 mol/L | pH 2; Maalili: 25 °C | (1) ACD |
Molar Solubility | 0.021 mol/L | pH 3; Maalili: 25 °C | (1) ACD |
Molar Solubility | 0.021 mol/L | pH 4; Maalili: 25 °C | (1) ACD |
Molar Solubility | 0.021 mol/L | pH 5; Maalili: 25 °C | (1) ACD |
Molar Solubility | 0.021 mol/L | pH 6; Maalili: 25 °C | (1) ACD |
Meatotino | Taua | Tulaga | Punavai |
Molar Solubility | 0.021 mol/L | pH 7; Maalili: 25 °C | (1) ACD |
Molar Solubility | 0.021 mol/L | pH 8; Maalili: 25 °C | (1) ACD |
Molar Solubility | 0.021 mol/L | pH 9; Maalili: 25 °C | (1) ACD |
Molar Solubility | 0.021 mol/L | pH 10; Maalili: 25 °C | (1) ACD |
Molar Solubility | 0.021 mol/L | Suavai e le fa'afefe pH 6.91; Maalili: 25 °C | (1) ACD |
Molecular Weight | 226.19 | ||
pKa | 12.55±0.40 | Le Tele o le Asi Sua: 25 °C | (1) ACD |
pKa | -4.68±0.60 | Tele Su'esu'ega Autu: 25 °C | (1) ACD |
Omiga ausa | 3.04 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 | 2.01±0.1 g/cm3 | Maalili: 20 °C; Lomitusi: 760 Torr | (1) ACD |
Molar Volume | 112.3±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 | -0.906±0.555 | Maalili: 25 °C | (1) ACD |
Molecular Weight | 226.19 |
(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 | 456.3±55.0 °C | Lomitusi: 760 Torr | (1) ACD |
Meatotino | Taua | Tulaga | Punavai |
Entalpy o le Ausa | 82.62±6.0 kJ/mol | Lomitusi: 760 Torr | (1) ACD |
Mata'imu | 229.8±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
1 H NMR
13 C NMR
Fa'amatalaga Fa'amatalaga o Tulaga Lamatia | |
H302 E afaina pe a foloina | European Chemical Agency (ECHA) Fa'avasegaina & Fa'ailoga Inventory - Fa'ailoaina le fa'avasegaina ma le fa'ailoga - fa'amatalaga masani, European Chemical Agency (ECHA) Fa'avasegaga & Fa'ailoga Fa'ailoga - Fa'ailoaina le fa'avasegaina ma le fa'ailoga - fa'amatalaga sili ona ogaoga |