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CAS No.: | 34004-14-3 |
---|---|
Name: | METHYL ALPHA-D-GALACTOPYRANOSIDE MONOHYDRATE |
Molecular Structure: | |
Formula: | C7H14O6·H2O |
Molecular Weight: | 212.2 |
Synonyms: | Galactopyranoside,methyl, monohydrate, a-D- (8CI);Methyl α-D-galactopyranoside hydrate;Methyl α-D-galactopyranoside hydrate (1:1);α-D-galactopyranoside, methyl, hydrate (1:1); |
EINECS: | 222-251-7 |
Density: | 1.47 g/cm3 |
Melting Point: | 102-103 °C |
Boiling Point: | 389.1 °C at 760 mmHg |
Flash Point: | 189.1 ºC |
Solubility: | Insoluble in water. |
Appearance: | white to cream crystalline powder |
Safety: | 24/25 |
PSA: | 108.61000 |
LogP: | -2.63160 |
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The Methyl α-D-galactopyranoside monohydrate, with the CAS registry number 34004-14-3, is also known as α-D-galactopyranoside, methyl, hydrate (1:1). Its EINECS number is 222-251-7. This chemical's molecular formula is C7H14O6·H2O and molecular weight is 212.2. What's more, its systematic name is methyl α-D-galactopyranoside hydrate. It should be sealed and stored at the temperature of 0-6 °C. When using it, you should avoid contacting with skin and eyes.
Physical properties of Methyl α-D-galactopyranoside monohydrate are: (1)ACD/LogP: -2.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.69; (4)ACD/BCF (pH 5.5): 1; (5)ACD/KOC (pH 5.5): 1; (6)#H bond acceptors: 6; (7)#H bond donors: 4; (8)#Freely Rotating Bonds: 6; (9)Polar Surface Area: 55.38 Å2; (10)Flash Point: 189.1 °C; (11)Enthalpy of Vaporization: 73.83 kJ/mol; (12)Boiling Point: 389.1 °C at 760 mmHg; (13)Vapour Pressure: 1.15E-07 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)CO.O
(2)InChI: InChI=1S/C7H14O6.H2O/c1-12-7-6(11)5(10)4(9)3(2-8)13-7;/h3-11H,2H2,1H3;1H2/t3-,4+,5+,6-,7+;/m1./s1
(3)InChIKey: QFDRIBVAVJNJDT-SAPZPLNPSA-N