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7404-32-2

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Basic Information
CAS No.: 7404-32-2
Name: METHYL-2,3,4-TRI-O-ACETYL-6-BROMO-6-DEOXY-ALPHA-D-GLUCOPYRANOSIDE
Article Data: 10
Molecular Structure:
Molecular Structure of 7404-32-2 (METHYL-2,3,4-TRI-O-ACETYL-6-BROMO-6-DEOXY-ALPHA-D-GLUCOPYRANOSIDE)
Formula: C13H19BrO8
Molecular Weight: 383.193
Synonyms: Glucopyranoside,methyl 6-bromo-6-deoxy-, triacetate, a-D- (8CI);α-D-Glucopyranoside, methyl 6-bromo-6-deoxy-,triacetate (9CI);Methyl 2,3,4-tri-O-acetyl-6-bromo-6-deoxy-a-D-glucopyranoside;NSC 403466;
Density: 1.158 g/cm3
Boiling Point: 397.2 °C at 760 mmHg
Flash Point: 194 °C
PSA: 97.36000
LogP: 0.54770
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Specification

The α-D-Glucopyranoside, methyl6-bromo-6-deoxy-, 2,3,4-triacetate, with the CAS registry number 7404-32-2, is also known as Glucopyranoside,methyl 6-bromo-6-deoxy-, triacetate, α-D- (8CI). This chemical's molecular formula is C13H19BrO8 and molecular weight is 383.19. What's more, its systematic name is methyl 2,3,4-tri-O-acetyl-6-bromo-6-deoxyhexopyranoside.

Physical properties of α-D-Glucopyranoside, methyl6-bromo-6-deoxy-, 2,3,4-triacetate are: (1)ACD/LogP: 5.97; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.97; (4)ACD/BCF (pH 5.5): 20439.04; (5)ACD/KOC (pH 5.5): 42365.68; (6)#H bond acceptors: 1; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 4.93 Å2; (10)Index of Refraction: 1.678; (11)Molar Refractivity: 87.71 cm3; (12)Molar Volume: 232.4 cm3; (13)Surface Tension: 49.7 dyne/cm; (14)Density: 1.158 g/cm3; (15)Flash Point: 198.8 °C; (16)Enthalpy of Vaporization: 68.28 kJ/mol; (17)Boiling Point: 451.1 °C at 760 mmHg; (18)Vapour Pressure: 6.68E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: BrCC1OC(OC)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C
(2)InChI: InChI=1/C13H19BrO8/c1-6(15)19-10-9(5-14)22-13(18-4)12(21-8(3)17)11(10)20-7(2)16/h9-13H,5H2,1-4H3
(3)InChIKey: JEEGQLMJZGMZSR-UHFFFAOYAF