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627466-98-2

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Basic Information
CAS No.: 627466-98-2
Name: 2,3,4,6-Tetra-O-benzoyl-D-mannopyranose
Article Data: 11
Molecular Structure:
Molecular Structure of 627466-98-2 (2,3,4,6-Tetra-O-benzoyl-D-mannopyranose)
Formula: C34H28O10
Molecular Weight: 596.59
Synonyms: D-mannopyranose, 2,3,4,6-tetrabenzoate;
Density: 1.389 g/cm3
Melting Point: 182-184°C
Boiling Point: 744.233 °C at 760 mmHg
Flash Point: 237.752 °C
PSA: 134.66000
LogP: 4.23740
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Specification

The 2,3,4,6-Tetra-O-benzoyl-D-mannopyranose with the cas number 627466-98-2, is also called D-mannopyranose, 2,3,4,6-tetrabenzoate. The systematic name is 2,3,4,6-tetrakis-O-(phenylcarbonyl)-D-mannopyranose. Its molecular formula is C34H28O10.

The properties of the chemical are: (1)ACD/LogP: 7.83; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): 9; (4)ACD/LogD (pH 7.4): 9; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 1881062; (8)ACD/KOC (pH 7.4): 1880764; (9)#H bond acceptors: 10; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 14; (12)Polar Surface Area: 134.66 Å2; (13)Index of Refraction: 1.645; (14)Molar Refractivity: 155.75 cm3; (15)Molar Volume: 429.379 cm3; (16)Polarizability: 61.744×10-24cm3; (17)Surface Tension: 66.374 dyne/cm; (18)Enthalpy of Vaporization: 113.883 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC[C@H]4OC(O)[C@@H](OC(=O)c1ccccc1)[C@@H](OC(=O)c2ccccc2)[C@@H]4OC(=O)c3ccccc3)c5ccccc5
(2)InChI: InChI=1/C34H28O10/c35-30(22-13-5-1-6-14-22)40-21-26-27(42-31(36)23-15-7-2-8-16-23)28(43-32(37)24-17-9-3-10-18-24)29(34(39)41-26)44-33(38)25-19-11-4-12-20-25/h1-20,26-29,34,39H,21H2/t26-,27-,28+,29+,34?/m1/s1