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Allyl-tetra-O-acetyl-beta-D-glucopyranoside

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Name

Allyl-tetra-O-acetyl-beta-D-glucopyranoside

EINECS 1533716-785-6
CAS No. 10343-15-4 Density 1.24 g/cm3
PSA 123.66000 LogP 0.27210
Solubility N/A Melting Point 87-90 °C(lit.)
Formula C17H24O10 Boiling Point 438.6 °C at 760 mmHg
Molecular Weight 388.372 Flash Point 189.2 °C
Transport Information N/A Appearance White to Yellow Conforms to Requirement
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 10343-15-4 (ALLYL-TETRA-O-ACETYL-BETA-D-) Hazard Symbols N/A
Synonyms

Glucopyranoside,allyl, tetraacetate (7CI);Glucopyranoside, allyl, tetraacetate, b-D- (8CI);b-D-Glucopyranoside, 2-propenyl,tetraacetate (9CI);Allyl 2,3,4,6-teatra-O-acetyl-b-D-glucopyranoside;Allyl 2,3,4,6-tetra-O-acetyl-b-D-glucopyranoside;Allyl-2,3,4,6-tetra-O-acetyl-b-D-glucopyranoside;

 

Allyl-tetra-O-acetyl-beta-D-glucopyranoside Specification

The Allyl-tetra-O-acetyl-beta-D-glucopyranoside, with the CAS registry number 10343-15-4, has the systematic name of prop-2-en-1-yl 2,3,4,6-tetra-O-acetyl-β-D-glucopyranoside. It belongs to the following product categories: Carbohydrate Synthesis; Monosaccharides; Specialty Synthesis. And the molecular formula of the chemical is C17H24O10. What's more, it should be stored in sealed containers, and should keep dry and cool at the same time.

The characteristics of Allyl-tetra-O-acetyl-beta-D-glucopyranoside are as followings: (1)ACD/LogP: 2.11; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 2.11; (4)ACD/LogD (pH 7.4): 2.11; (5)ACD/BCF (pH 5.5): 23.56; (6)ACD/BCF (pH 7.4): 23.56; (7)ACD/KOC (pH 5.5): 334.02; (8)ACD/KOC (pH 7.4): 334.02; (9)#H bond acceptors: 10; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 123.66 Å2; (13)Index of Refraction: 1.483; (14)Molar Refractivity: 89.28 cm3; (15)Molar Volume: 312.6 cm3; (16)Polarizability: 35.39×10-24cm3; (17)Surface Tension: 43.5 dyne/cm; (18)Density: 1.24 g/cm3; (19)Flash Point: 189.2 °C; (20)Enthalpy of Vaporization: 69.54 kJ/mol; (21)Boiling Point: 438.6 °C at 760 mmHg; (22)Vapour Pressure: 6.84E-08 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OC[C@H]1O[C@@H](OC/C=C)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C)C
(2)InChI: InChI=1/C17H24O10/c1-6-7-22-17-16(26-12(5)21)15(25-11(4)20)14(24-10(3)19)13(27-17)8-23-9(2)18/h6,13-17H,1,7-8H2,2-5H3/t13-,14-,15+,16-,17-/m1/s1
(3)InChIKey: CRUHDGOVWKFJBM-NQNKBUKLBP

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