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| CAS No.: | 709-50-2 |
|---|---|
| Name: | Methyl beta-D-glucopyranoside |
| Molecular Structure: | |
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| Formula: | C7H14O6 |
| Molecular Weight: | 194.185 |
| Synonyms: | Glucopyranoside,methyl, b-D- (8CI);1-O-Methyl-b-D-glucopyranoside;Methyl b-D-glucopyranoside;NSC 403457;methyl hexopyranoside;2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol;hexopyranoside, methyl;Methyl hexopyranoside; |
| EINECS: | 211-909-9 |
| Density: | 1.47 g/cm3 |
| Melting Point: | 107-111ºC |
| Boiling Point: | 389.1 °C at 760 mmHg |
| Flash Point: | 189.1 °C |
| Solubility: | 0.1 g/mL, clear, colorless in water |
| Appearance: | White Cyrstalline Solid |
| Safety: | 24/25 |
| PSA: | 99.38000 |
| LogP: | -2.56730 |
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Specification
The β-D-Glucopyranoside, methyl, with cas registry number of 709-50-2 and EINECS registry number 211-909-9, has the systematic name of methyl hexopyranoside. It is a kind of white cyrstalline solid, and belongs to the following product categories: Biochemistry; Glucose; Glycosides; Sugars; Carbohydrates & Derivatives. And the molecular formula of the chemical is C7H14O6.
The characteristics of β-D-Glucopyranoside, methyl are as followings: (1)ACD/LogP: -2.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.69; (4)ACD/LogD (pH 7.4): -2.69; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 55.38 Å2; (13)Index of Refraction: 1.548; (14)Molar Refractivity: 41.92 cm3; (15)Molar Volume: 131.9 cm3; (16)Polarizability: 16.61×10-24cm3; (17)Surface Tension: 68.3 dyne/cm; (18)Density: 1.47 g/cm3; (19)Flash Point: 189.1 °C; (20)Enthalpy of Vaporization: 73.83 kJ/mol; (21)Boiling Point: 389.1 °C at 760 mmHg; (22)Vapour Pressure: 1.15E-07 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: OC1C(O)C(O)C(OC1OC)CO
(2)InChI: InChI=1/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3
(3)InChIKey: HOVAGTYPODGVJG-UHFFFAOYAM