D-Glucose, 3-O-methyl- supplier

Name
3-O-(3H-METHYL)-D-GLUCOSE
EINECS 205-677-8
CAS No. 146-72-5
Article Data12
CAS DataBase
Density 1.394 g/cm³
Solubility
Melting Point 158 °C
Formula C₇H₁₄O₆
Boiling Point 474.2 °C at 760 mmHg
Molecular Weight 194.185
Flash Point 196.1 °C
Transport Information
Appearance
Safety 16
Risk Codes 11
Molecular Structure
Hazard Symbols F
Synonyms methylglucose;3-OMG
PSA 107.22000
LogP -2.72470

D-Glucose, 3-O-methyl- Specification

The D-Glucose, 3-O-methyl-, with the CAS registry number of 146-72-5, is also known as D-glucose, 3-O-methyl-. This chemical's molecular formula is C₇H₁₄O₆ and molecular weight is 194.182460. What's more, its IUPAC name is (2R,3S,4R,5R)-2,4,5,6-Tetrahydroxy-3-methoxyhexanal.

Physical properties about the D-Glucose, 3-O-methyl- are: (1)ACD/LogP: -0.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.99; (4)ACD/LogD (pH 7.4): -0.99; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 6.91; (8)ACD/KOC (pH 7.4): 6.91; (9)#H bond acceptors: 6; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 63.22 Å²; (13)Index of Refraction: 1.52; (14)Molar Refractivity: 42.38 cm³; (15)Molar Volume: 139.2 cm³; (16)Surface Tension: 65 dyne/cm; (17)Density: 1.394 g/cm³; (18)Flash Point: 196.1 °C; (19)Enthalpy of Vaporization: 85.01 kJ/mol; (20)Boiling Point: 474.2 °C at 760 mmHg; (21)Vapour Pressure: 5.53E-11 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C[C@H](O)[C@@H](OC)[C@H](O)[C@H](O)CO
(2) InChI: InChI=1/C7H14O6/c1-13-7(5(11)3-9)6(12)4(10)2-8/h3-8,10-12H,2H2,1H3/t4-,5+,6-,7-/m1/s1
(3) InChIKey: RMTFNDVZYPHUEF-XZBKPIIZBD

Product Name

3-O-(3H-METHYL)-D-GLUCOSE

D-Glucose, 3-O-methyl- Specification

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