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CAS No.: | 362-43-6 |
---|---|
Name: | 2',3'-O-ISOPROPYLIDENEURIDINE |
Article Data: | 116 |
Molecular Structure: | |
Formula: | C12H16N2O6 |
Molecular Weight: | 284.269 |
Synonyms: | Uridine,2',3'-O-isopropylidene- (6CI,7CI,8CI);2',3'-O-Isopropylideneuridine;NSC 520038;Uridine 2',3'-acetonide;2',3'-O-(1-methylethylidene)uridine;1-[(3αR,4R,6R,6αR)-6-(hydroxymethyl)-2,2-dimethyl-3α,4,6,6α-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]pyrimidine-2,4-dione; |
EINECS: | 206-647-7 |
Density: | 1.376 /cm3 |
Melting Point: | 163-166 °C |
Boiling Point: | 426.76°C (rough estimate) |
Safety: | 24/25 |
PSA: | 102.78000 |
LogP: | -1.05360 |
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The Uridine,2',3'-O-(1-methylethylidene)-, with the CAS registry number 362-43-6 and EINECS registry number 206-647-7, has the IUPAC name of 1-[(3αR,4R,6R,6αR)-6-(hydroxymethyl)-2,2-dimethyl-3α,4,6,6α-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]pyrimidine-2,4-dione. It is a kind of white needle-like crystals, and should be stored at -20°C. The molecular formula of the chemical is C12H16N2O6. What's more, it is a useful precursor for the preparation of nucleic acids. Besides, while dealing with this chemical, you should avoid contacting with skin and eyes.
The physical properties of Uridine,2',3'-O-(1-methylethylidene)- are as followings: (1)ACD/LogP: 0.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.2; (4)ACD/LogD (pH 7.4): 0.15; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 30.56; (8)ACD/KOC (pH 7.4): 27.09; (9)#H bond acceptors: 8; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 77.54 Å2; (13)Index of Refraction: 1.539; (14)Molar Refractivity: 64.74 cm3; (15)Molar Volume: 206.5 cm3; (16)Polarizability: 25.66×10-24cm3; (17)Surface Tension: 47 dyne/cm; (18)Density: 1.376 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1\C=C/N(C(=O)N1)[C@@H]2O[C@@H]([C@H]3OC(O[C@@H]23)(C)C)CO
(2)InChI: InChI=1/C12H16N2O6/c1-12(2)19-8-6(5-15)18-10(9(8)20-12)14-4-3-7(16)13-11(14)17/h3-4,6,8-10,15H,5H2,1-2H3,(H,13,16,17)/t6-,8-,9-,10-/m1/s1
(3)InChIKey: GFDUSNQQMOENLR-PEBGCTIMBB