1,2-O-Isopropylidene-alpha-D-xylofuranose supplier

Name
1,2-O-Isopropylidene-alpha-D-xylofuranose
EINECS 606-426-9
CAS No. 20031-21-4
Article Data121
CAS DataBase
Density 1.267 g/cm³
Solubility
Melting Point 69-71 °C
Formula C₈H₁₄O₅
Boiling Point 333 °C at 760 mmHg
Molecular Weight 190.196
Flash Point 155.2 °C
Transport Information
Appearance White crystalline solid
Safety 22-24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Xylofuranose,1,2-O-isopropylidene- (6CI,7CI);Xylofuranose, 1,2-O-isopropylidene-, a-D- (8CI);1,2-Di-O-isopropylidene-a-D-xylofuranose;1,2-O-Isopropylidene-D-xylofuranose;1,2-O-Isopropylidene-a-D-xylofuranose;
PSA 68.15000
LogP -0.78400

1,2-O-Isopropylidene-alpha-D-xylofuranose Specification

The 1,2-O-Isopropylidene-alpha-D-xylofuranose with the CAS number 20031-21-4 is also called a-D-Xylofuranose,1,2-O-(1-methylethylidene)-. The IUPAC name is (3aR,5R,6S,6aR)-5-(hydroxymethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol. Its molecular formula is C₈H₁₄O₅. This chemical belongs to the following product categories: (1)13C & 2H Sugars; (2)Biochemistry; (3)Sugars; (4)Xylose; (5)Carbohydrates & Derivatives; (6)Carbohydrate Synthesis; (7)Monosaccharides; (8)Specialty Synthesis.

The properties of the chemical are: (1)ACD/LogP: 0.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.51; (4)ACD/LogD (pH 7.4): 0.51; (5)ACD/BCF (pH 5.5): 1.44; (6)ACD/BCF (pH 7.4): 1.44; (7)ACD/KOC (pH 5.5): 45.18; (8)ACD/KOC (pH 7.4): 45.18; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 46.15 Å²; (13)Index of Refraction: 1.485; (14)Molar Refractivity: 43.06 cm³; (15)Molar Volume: 150 cm³; (16)Polarizability: 17.07×10^-24cm³; (17)Surface Tension: 47.3 dyne/cm; (18)Enthalpy of Vaporization: 66.72 kJ/mol; (19)Vapour Pressure: 1×10^-5 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O1C(O[C@H]2O[C@H](CO)[C@H](O)[C@@H]12)(C)C
(2)InChI: InChI=1/C8H14O5/c1-8(2)12-6-5(10)4(3-9)11-7(6)13-8/h4-7,9-10H,3H2,1-2H3/t4-,5+,6-,7-/m1/s1
(3)InChIKey: JAUQZVBVVJJRKM-XZBKPIIZBC

Product Name

1,2-O-Isopropylidene-alpha-D-xylofuranose

1,2-O-Isopropylidene-alpha-D-xylofuranose Specification

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