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CAS No.: | 4099-85-8 |
---|---|
Name: | Methyl-2,3-O-isopropylidene-beta-D-ribofuranoside |
Article Data: | 134 |
Molecular Structure: | |
Formula: | C9H16O5 |
Molecular Weight: | 204.223 |
Synonyms: | Ribofuranoside,methyl 2,3-O-isopropylidene- (6CI,7CI);Ribofuranoside, methyl2,3-O-isopropylidene-, b-D- (8CI);β-D-Ribofuranoside, methyl 2,3-O-(1-methylethylidene)-;NSC 85191; |
EINECS: | 223-865-8 |
Density: | 1.233 g/cm3 |
Boiling Point: | 287.258 °C at 760 mmHg |
Flash Point: | 127.529 °C |
Appearance: | Colourless Liquid |
Hazard Symbols: | Xi |
Risk Codes: | R36/37/38 |
PSA: | 57.15000 |
LogP: | -0.12990 |
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Methyl 2,3-O-isopropylidene-β-D-ribofuranoside is an organic compound with the formula C9H16O5, and its systematic name is the same with the product name. With the CAS registry number 4099-85-8, it is also named as β-D-Ribofuranoside, methyl 2,3-O-(1-methylethylidene)-. It belongs to the product category of Carbohydrates & Derivatives. Its EINECS number is 223-865-8. In addition, the molecular weight is 204.22. This chemical is stable at common pressure and temperature, and it should be sealed and stored in a ventilated and dry place. Moreover, it should be protected from light.
Physical properties of Methyl 2,3-O-isopropylidene-β-D-ribofuranoside are: (1)ACD/LogP: -0.263; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.26; (4)ACD/LogD (pH 7.4): -0.26; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 17.14; (8)ACD/KOC (pH 7.4): 17.14; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 57.15 Å2; (13)Index of Refraction: 1.492; (14)Molar Refractivity: 48.046 cm3; (15)Molar Volume: 165.632 cm3; (16)Polarizability: 19.047×10-24cm3; (17)Surface Tension: 40.53 dyne/cm; (18)Density: 1.233 g/cm3; (19)Flash Point: 127.529 °C; (20)Enthalpy of Vaporization: 61.088 kJ/mol; (21)Boiling Point: 287.258 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O1[C@@H]([C@H]2OC(O[C@H]2[C@@H]1OC)(C)C)CO
(2)Std. InChI: InChI=1S/C9H16O5/c1-9(2)13-6-5(4-10)12-8(11-3)7(6)14-9/h5-8,10H,4H2,1-3H3/t5-,6-,7-,8-/m1/s1
(3)Std. InChIKey: DXBHDBLZPXQALN-WCTZXXKLSA-N