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42214-11-9

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Basic Information
CAS No.: 42214-11-9
Name: Methyl 6-deoxy-alpha-D-glucopyranoside
Article Data: 68
Molecular Structure:
Molecular Structure of 42214-11-9 (Methyl 6-deoxy-alpha-D-glucopyranoside)
Formula: C7H14O5
Molecular Weight: 178.185
Synonyms: Methyl 6-deoxy-α-D-gulopyranoside;
Density: 1.32 g/cm3
Melting Point: 158-159ºC
Boiling Point: 312.6 °C at 760 mmHg
Flash Point: 142.9 °C
PSA: 79.15000
LogP: -1.53970
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Specification

The α-D-Gulopyranoside, methyl 6-deoxy-, with the CAS registry number of 42214-11-9, is also known as Methyl 6-deoxy-α-D-glucopyranoside. This chemical's molecular formula is C7H14O5 and molecular weight is 178.1831. What's more, its systematic name is called Methyl 6-deoxy-alpha-D-glucopyranoside.

Physical properties aboutα-D-Gulopyranoside, methyl 6-deoxy- are: (1)ACD/LogP: 0.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.05; (4)ACD/LogD (pH 7.4): 0.05; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 25.47; (8)ACD/KOC (pH 7.4): 25.47; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 46.15 Å2; (13)Index of Refraction: 1.513; (14)Molar Refractivity: 40.38 cm3; (15)Molar Volume: 134.3 cm3; (16)Surface Tension: 52.8 dyne/cm; (17)Density: 1.32 g/cm3; (18)Flash Point: 142.9 °C; (19)Enthalpy of Vaporization: 64.19 kJ/mol; (20)Boiling Point: 312.6 °C at 760 mmHg; (21)Vapour Pressure: 4.59E-05 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](O[C@@H]1OC)C
(2) InChI: InChI=1/C7H14O5/c1-3-4(8)5(9)6(10)7(11-2)12-3/h3-10H,1-2H3/t3-,4-,5+,6-,7+/m1/s1
(3) InChIKey: OHWCAVRRXKJCRB-ZFYZTMLRBM