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37074-90-1

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Basic Information
CAS No.: 37074-90-1
Name: 6-TRITYL-1,2,3,4-TETRA-O-ACETYL-BETA-D-GLUCOSE
Article Data: 10
Molecular Structure:
Molecular Structure of 37074-90-1 (6-TRITYL-1,2,3,4-TETRA-O-ACETYL-BETA-D-GLUCOSE)
Formula: C33H34O10
Molecular Weight: 590.627
Synonyms: b-D-Glucopyranose,6-O-(triphenylmethyl)-, tetraacetate (9CI);1,2,3,4-Tetra-O-acetyl-6-O-triphenylmethyl-b-D-glucopyranose;NSC 404268;
Density: 1.28 g/cm3
Melting Point: 165-166 °C
Boiling Point: 633.3 °C at 760 mmHg
Flash Point: 262.6 °C
PSA: 134.66000
LogP: 3.46500
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Specification

The 1,2,3,4-Tetra-O-acetyl-6-O-triphenylmethyl-beta-D-glucopyranose, with the CAS registry number 37074-90-1, has the systematic name of 1,2,3,4-tetra-O-acetyl-6-O-tritylhexopyranose. It belongs to the product category of Carbohydrates. And the molecular formula of the chemical is C33H34O10.

The characteristics of this chemical 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