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| CAS No.: | 75398-85-5 |
|---|---|
| Name: | Methyl beta-D-glucopyranoside |
| Molecular Structure: | |
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| Formula: | C7H14O6 |
| Molecular Weight: | 194.1825 |
| Synonyms: | 27939-29-3;.beta.-Methyl-(d)-glucoside;709-50-2;beta-Methylglucoside;beta-D-Glucopyranoside, methyl;1-O-Methyl-beta-D-glucopyranoside;30326-25-1;Methyl beta-D-glucoside;2-(hydroxymethyl)-6-methoxy-oxane-3,4,5-triol; |
| Density: | 1.47 g/cm3 |
| Boiling Point: | 389.1 °C at 760 mmHg |
| Flash Point: | 189.1 °C |
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Specification
The Methyl beta-D-glucopyranoside, with the CAS registry number 75398-85-5, is also known as beta-D-Glucopyranoside, methyl. This chemical's molecular formula is C7H14O6 and molecular weight is 194.1825. Its IUPAC name is called 2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol.
Physical properties of Methyl beta-D-glucopyranoside: (1)ACD/LogP: -2.69; (2)ACD/LogD (pH 5.5): -2.69; (3)ACD/LogD (pH 7.4): -2.69; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 6; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 6; (11)Index of Refraction: 1.548; (12)Molar Refractivity: 41.92 cm3; (13)Molar Volume: 131.9 cm3; (14)Surface Tension: 68.3 dyne/cm; (15)Density: 1.47 g/cm3; (16)Flash Point: 189.1 °C; (17)Enthalpy of Vaporization: 73.83 kJ/mol; (18)Boiling Point: 389.1 °C at 760 mmHg; (19)Vapour Pressure: 1.15E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC1C(C(C(C(O1)CO)O)O)O
(2)InChI: InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3
(3)InChIKey: HOVAGTYPODGVJG-UHFFFAOYSA-N