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CAS No.: | 7464-26-8 |
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Name: | methyl 4-O-acetylhexopyranoside |
Molecular Structure: | |
Formula: | C9H16O7 |
Molecular Weight: | 236.2191 |
Synonyms: | NSC403958;methyl 4-O-acetylhexopyranoside; |
Density: | 1.38 g/cm3 |
Boiling Point: | 379.2 °C at 760 mmHg |
Flash Point: | 147.5 °C |
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The Galactopyranoside, methyl, 4-acetate, D- (8CI), with the CAS registry number 7464-26-8, has the systematic name of methyl 4-O-acetylhexopyranoside. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C9H16O7.
The characteristics of Galactopyranoside, methyl, 4-acetate, D- (8CI) are as followings: (1)ACD/LogP: -0.64; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 7; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 7; (6)Polar Surface Area: 72.45 Å2; (7)Index of Refraction: 1.516; (8)Molar Refractivity: 51.5 cm3; (9)Molar Volume: 170.4 cm3; (10)Polarizability: 20.41×10-24cm3; (11)Surface Tension: 56.7 dyne/cm; (12)Density: 1.38 g/cm3; (13)Flash Point: 147.5 °C; (14)Enthalpy of Vaporization: 72.56 kJ/mol; (15)Boiling Point: 379.2 °C at 760 mmHg; (16)Vapour Pressure: 2.62E-07 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OC1C(OC(OC)C(O)C1O)CO)C
(2)InChI: InChI=1/C9H16O7/c1-4(11)15-8-5(3-10)16-9(14-2)7(13)6(8)12/h5-10,12-13H,3H2,1-2H3
(3)InChIKey: OWCIMOLLDRPCDP-UHFFFAOYAU