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CAS No.: | 22423-26-3 |
---|---|
Name: | 2,2'-Anhydro-5-methyluridine |
Article Data: | 41 |
Molecular Structure: | |
Formula: | C10H12N2O5 |
Molecular Weight: | 240.216 |
Synonyms: | 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-(2a,3b,3ab,9ab)]-;2,2'-Anhydro-1-beta-arabinofuranosylthymine;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);2,2'-Anhydro-11-beta-D-arabinofuranosylthymine;2,2'-Anhydro-athy; |
EINECS: | 2017-001-1 |
Density: | 1.9±0.1 g/cm3 |
Melting Point: | 217.0 to 221.0 °C |
Boiling Point: | 452.0±55.0 °C at 760 mmHg |
Flash Point: | 227.2±31.5 °C |
Solubility: | Soluble in water |
Appearance: | Colourless solid |
PSA: | 93.81000 |
LogP: | -1.43670 |
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The 2,2'-Anhydro-5-methyluridine, with the CAS registry number 22423-26-3, is also known as 2,2'-Anhydro-11-beta-D-arabinofuranosylthymine. This chemical's molecular formula is C10H12N2O5 and molecular weight is 240.21. What's more, its systematic name is (2R,3R,3aS,9aR)-3-Hydroxy-2-(hydroxymethyl)-7-methyl-2,3,3a,9a-tetrahydro-6H-furo[2',3':4,5][1,3]oxazolo[3,2-a]pyrimidin-6-one.
Physical properties of 2,2'-Anhydro-5-methyluridine are: (1)ACD/LogP: -0.81±0.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.81; (4)ACD/LogD (pH 7.4): -0.81; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 8.68; (8)ACD/KOC (pH 7.4): 8.68; (9)#H bond acceptors: 7; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 91.59 Å2; (13)Index of Refraction: 1.773; (14)Molar Refractivity: 53.1±0.5 cm3; (15)Molar Volume: 127.6±7.0 cm3; (16)Polarizability: 21.1±0.5×10-24cm3; (17)Surface Tension: 76.9±7.0 dyne/cm; (18)Density: 1.9±0.1 g/cm3; (19)Flash Point: 227.2±31.5 °C; (20)Enthalpy of Vaporization: 82.0±6.0 kJ/mol; (21)Boiling Point: 452.0±55.0 °C at 760 mmHg; (22)Vapour Pressure: 0.0±2.5 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cn2c(nc1=O)O[C@H]3[C@H]2O[C@@H](C3O)CO
(2)Std. 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
(3)Std. InChIKey: WLLOAUCNUMYOQI-RLKNHCSUSA-N