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4356-82-5

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Basic Information
CAS No.: 4356-82-5
Name: Methyl 2,3,4-tris-O-(phenylmethyl)-beta-D-glucopyranosiduronic acid
Article Data: 3
Molecular Structure:
Molecular Structure of 4356-82-5 (Methyl 2,3,4-tris-O-(phenylmethyl)-beta-D-glucopyranosiduronic acid)
Formula: C28H30O7
Molecular Weight: 478.542
Synonyms: Glucopyranosiduronicacid, methyl 2,3,4-tri-O-benzyl-, b-D- (7CI,8CI);
Density: 1.25 g/cm3
Boiling Point: 626.2 °C at 760 mmHg
Flash Point: 205.5 °C
PSA: 83.45000
LogP: 4.19850
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Specification

The Methyl 2,3,4-tris-O-(phenylmethyl)-beta-D-glucopyranosiduronic acid with its cas register number is 4356-82-5. It also can be called as b-D-Glucopyranosiduronic acid,methyl 2,3,4-tris-O-(phenylmethyl)- and the Systematic name about this chemical is beta-D-glucopyranosiduronic acid, methyl 2,3,4-tris-O-(phenylmethyl)-. It belongs to the Sugars. 

Physical properties about Methyl 2,3,4-tris-O-(phenylmethyl)-beta-D-glucopyranosiduronic acid are: (1)ACD/LogP: 7.43; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.65; (4)ACD/LogD (pH 7.4): 3.73; (5)ACD/BCF (pH 5.5): 436.81; (6)ACD/BCF (pH 7.4): 51.6; (7)ACD/KOC (pH 5.5): 438.27; (8)ACD/KOC (pH 7.4): 51.77; (9)#H bond acceptors: 7; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 83.45Å2; (13)Index of Refraction: 1.602; (14)Molar Refractivity: 130.68 cm3; (15)Molar Volume: 380.9 cm3; (16)Polarizability: 51.8x10-24cm3; (17)Surface Tension: 54.7 dyne/cm; (18)Enthalpy of Vaporization: 97.44 kJ/mol; (19)Vapour Pressure: 1.52E-16 mmHg at 25°C

You can still convert the following datas into molecular structure:
(1)SMILES: CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)OCc2ccccc2)OCc3ccccc3)OCc4ccccc4
(2)InChI: InChI=1/C28H30O7/c1-31-28-26(34-19-22-15-9-4-10-16-22)24(33-18-21-13-7-3-8-14-21)23(25(35-28)27(29)30)32-17-20-11-5-2-6-12-20/h2-16,23-26,28H,17-19H2,1H3,(H,29,30)/t23-,24-,25-,26+,28+/m0/s1
(3)InChIKey: YNRUVHJHQXLZGX-YYDZWWTMBT
(4)Std. InChI: InChI=1S/C28H30O7/c1-31-28-26(34-19-22-15-9-4-10-16-22)24(33-18-21-13-7-3-8-14-21)23(25(35-28)27(29)30)32-17-20-11-5-2-6-12-20/h2-16,23-26,28H,17-19H2,1H3,(H,29,30)/t23-,24-,25-,26+,28+/m0/s1
(5)Std. InChIKey: YNRUVHJHQXLZGX-YYDZWWTMSA-N