CAS No.617-04-9,METHYL-ALPHA-D-MANNOPYRANOSIDE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	617-04-9
Name:	METHYL-ALPHA-D-MANNOPYRANOSIDE
Article Data:	165

Formula:	C₇H₁₄O₆
Molecular Weight:	194.185
Synonyms:	Methyl α-D-Mannopyranoside;
EINECS:	210-502-3
Density:	1.47 g/cm³
Melting Point:	193-196 °C
Boiling Point:	389.1 °C at 760 mmHg
Flash Point:	189.1 °C
Solubility:	It is easily soluble in methanol, water. Insoluble in ether.
Appearance:	White powder
Hazard Symbols:	Xi,F
Risk Codes:	10
Safety:	22-24/25-16
PSA:	99.38000
LogP:	-2.56730

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Specification

The α-D-Mannopyranoside, methyl, with the CAS registry number of 617-04-9, is also known as Methyl α-D-Mannopyranoside. This chemical's molecular formula is C₇H₁₄O₆ and molecular weight is 194.182460. What's more, its IUPAC name is (2R,3S,4S,5S,6S)-2-(Hydroxymethyl)-6-methoxyoxane-3,4,5-trio. In addition, it must be stored in airtight containers and placed in a dry, cool place.

Physical properties about the α-D-Mannopyranoside, methyl are: (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)Surface Tension: 68.3 dyne/cm; (17)Density: 1.47 g/cm³; (18)Flash Point: 189.1 °C; (19)Enthalpy of Vaporization: 73.83 kJ/mol; (20)Boiling Point: 389.1 °C at 760 mmHg; (21)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
(2) InChI: InChI=1/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5+,6+,7+/m1/s1
(3) InChIKey: HOVAGTYPODGVJG-VEIUFWFVBN