Name: Methyl 2,3,4,6-Tetra-O-benzyl-a-D-glucopyranoside
SKU: 17791-37-6

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Basic Information

Molecular Structure:
CAS No.:	17791-37-6
Name:	Methyl 2,3,4,6-Tetra-O-benzyl-a-D-glucopyranoside
Article Data:	121

Formula:	C₃₅H₃₈O₆
Molecular Weight:	554.683
Synonyms:	Glucopyranoside,methyl 2,3,4,6-tetra-O-benzyl-, a-D- (6CI);Glucopyranoside, methyl tetra-O-benzyl-, a-D- (8CI);Methyl2,3,4,6-tetra-O-benzyl-a-D-glucopyranoside;
Density:	1.18 g/cm³
Melting Point:	26-27°C
Boiling Point:	656.9 °C at 760 mmHg
Flash Point:	248 °C
Appearance:	yellow thick oil
PSA:	55.38000
LogP:	6.33070

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Specification

The Methyl 2,3,4,6-tetra-O-benzyl-alpha-D-glucopyranoside, with the CAS registry number 17791-37-6, is also known as Methyl 2,3,4,6-Tetra-O-benzyl-Î±-D-galactopyranoside. It belongs to the product categories of 13C & 2H Sugars; Carbohydrates & Derivatives. This chemical's molecular formula is C₃₅H₃₈O₆ and formula weight is 554.67. What's more, its systematic name is called methyl 2,3,4,6-tetra-O-benzylhexopyranoside. This chemical is yellow thick oil.

Physical properties of Methyl 2,3,4,6-tetra-O-benzyl-alpha-D-glucopyranoside: (1)ACD/LogP: 9.23; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 9.23; (4)ACD/LogD (pH 7.4): 9.23; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 2505238; (8)ACD/KOC (pH 7.4): 2505238; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 14; (12)Index of Refraction: 1.601; (13)Molar Refractivity: 160.12 cm³; (14)Molar Volume: 467.2 cm³; (15)Surface Tension: 50.9 dyne/cm; (16)Density: 1.18 g/cm³; (17)Flash Point: 248 °C; (18)Enthalpy of Vaporization: 93.21 kJ/mol; (19)Boiling Point: 656.9 °C at 760 mmHg; (20)Vapour Pressure: 2.11E-16 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O(C3C(OCc1ccccc1)C(OCc2ccccc2)C(OC3OC)COCc4ccccc4)Cc5ccccc5
(2)InChI: InChI=1/C35H38O6/c1-36-35-34(40-25-30-20-12-5-13-21-30)33(39-24-29-18-10-4-11-19-29)32(38-23-28-16-8-3-9-17-28)31(41-35)26-37-22-27-14-6-2-7-15-27/h2-21,31-35H,22-26H2,1H3
(3)InChIKey: IXEBJCKOMVGYKP-UHFFFAOYAS