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10028-44-1

Basic Information
CAS No.: 10028-44-1
Name: 1,2,3,4-TETRA-O-ACETYL-6-O-(TRIPHENYLMETHYL)-BETA-D-GLUCOPYRANOSE
Article Data: 3
Molecular Structure:
Molecular Structure of 10028-44-1 (1,2,3,4-TETRA-O-ACETYL-6-O-(TRIPHENYLMETHYL)-BETA-D-GLUCOPYRANOSE)
Formula: C33H34O10
Molecular Weight: 590.627
Synonyms: Glucopyranose,6-O-trityl-, tetraacetate, a-D- (8CI);NSC 52915;1,2,3,4-tetra-O-acetyl-6-O-tritylhexopyranose;[4,5,6-triacetyloxy-2-(trityloxymethyl)oxan-3-yl] acetate;
Density: 1.28 g/cm3
Boiling Point: 633.3 °C at 760 mmHg
Flash Point: 262.6 °C
PSA: 123.66000
LogP: 4.07820
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Specification

The α-D-Glucopyranose,6-O-(triphenylmethyl)-, tetraacetate (9CI), with the CAS registry number 10028-44-1, has the systematic name of 1,2,3,4-tetra-O-acetyl-6-O-tritylhexopyranose. It belongs to the following product categories: Sugars, Carbohydrates & Glucosides; Carbohydrates. And the molecular formula of the chemical is C33H34O10.

The characteristics of α-D-Glucopyranose,6-O-(triphenylmethyl)-, tetraacetate (9CI) are as followings: (1)ACD/LogP: 7.77; (2)# of Rule of 5 Violations: 3; (3)#H bond acceptors: 10; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 14; (6)Polar Surface Area: 123.66 Å2; (7)Index of Refraction: 1.585; (8)Molar Refractivity: 154.4 cm3; (9)Molar Volume: 460.6 cm3; (10)Polarizability: 61.2×10-24cm3; (11)Surface Tension: 54.5 dyne/cm; (12)Density: 1.28 g/cm3; (13)Flash Point: 262.6 °C; (14)Enthalpy of Vaporization: 93.62 kJ/mol; (15)Boiling Point: 633.3 °C at 760 mmHg; (16)Vapour Pressure: 6.08E-16 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OC1OC(C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)COC(c2ccccc2)(c3ccccc3)c4ccccc4)C
(2)InChI: InChI=1/C33H34O10/c1-21(34)39-29-28(43-32(42-24(4)37)31(41-23(3)36)30(29)40-22(2)35)20-38-33(25-14-8-5-9-15-25,26-16-10-6-11-17-26)27-18-12-7-13-19-27/h5-19,28-32H,20H2,1-4H3
(3)InChIKey: GTJGUFOLNHYRQE-UHFFFAOYAM