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4144-87-0

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Basic Information
CAS No.: 4144-87-0
Name: METHYL 6-CHLORO-6-DEOXY-ALPHA-D-GLUCOPYRANOSIDE
Article Data: 13
Cas Database
Molecular Structure:
Molecular Structure of 4144-87-0 (METHYL 6-CHLORO-6-DEOXY-ALPHA-D-GLUCOPYRANOSIDE)
Formula: C7H13ClO5
Molecular Weight: 212.63
Synonyms: Glucopyranoside,methyl 6-chloro-6-deoxy- (7CI);Glucopyranoside, methyl 6-chloro-6-deoxy-, a-D- (8CI);Methyl 6-chloro-6-deoxy-a-D-glucopyranoside;NSC 170171;
Density: 1.45 g/cm3
Boiling Point: 370.415 °C at 760 mmHg
Flash Point: 177.821 °C
PSA: 79.15000
LogP: -1.32080
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Specification

The CAS registry number of a-D-Glucopyranoside,methyl 6-chloro-6-deoxy- is 4144-87-0,  This chemical's molecular formula is C7H13ClO5 and molecular weight is 212.63. What's more, its systematic name is Methyl 6-chloro-6-deoxy-α-D-glucopyranoside.

Physical properties about a-D-Glucopyranoside,methyl 6-chloro-6-deoxy- are: (1)ACD/LogP: -0.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 32; (8)ACD/KOC (pH 7.4): 32; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 79.15 Å2; (13)Index of Refraction: 1.532; (14)Molar Refractivity: 45.219 cm3; (15)Molar Volume: 145.911 cm3; (16)Polarizability: 17.926×10-24cm3; (17)Surface Tension: 57.167 dyne/cm; (18)Density: 1.457 g/cm3; (19)Flash Point: 177.821 °C; (20)Enthalpy of Vaporization: 71.431 kJ/mol; (21)Boiling Point: 370.415 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CCl)O[C@@H]1OC
(2) InChI: InChI=1/C7H13ClO5/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-7,9-11H,2H2,1H3/t3-,4-,5+,6-,7+/m1/s1
(3) InChIKey: TZECRHYTLKLTSH-ZFYZTMLRBR