4,6-O-Benzylidene-D-glucopyranose supplier

Name
4,6-O-BENZYLIDENE-D-GLUCOPYRANOSE
EINECS 1533716-785-6
CAS No. 30688-66-5
Article Data8
CAS DataBase
Density 1.379 g/cm³
Solubility
Melting Point 183-186 °C
Formula C₁₃H₁₆O₆
Boiling Point 521.6 °C at 760 mmHg
Molecular Weight 268.2625
Flash Point 201.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms D-Glucose,4,6-O-benzylidene- (7CI,8CI);4,6-O-Benzylidene-D-glucose;(2R,3R)-2,3-dihydroxy-3-[(4R,5R)-5-hydroxy-2-phenyl-1,;4,6-Benzylidene-D-glucose;D-Glucose, 4,6-O-(phenylmethylene)-;
PSA 88.38000
LogP -0.46040

4,6-O-Benzylidene-D-glucopyranose Specification

The 4,6-O-Benzylidene-D-glucopyranose, with the cas registry number 30688-66-5 and EINECS registry number 271-896-0, is also called 4,6-O-(Phenylmethylene)-D-glucose. The molecular formula of the chemical is C₁₃H₁₆O₆.

The characteristics of this chemical are as followings: (1)ACD/LogP: 1.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.6; (4)ACD/LogD (pH 7.4): 1.6; (5)ACD/BCF (pH 5.5): 9.71; (6)ACD/BCF (pH 7.4): 9.71; (7)ACD/KOC (pH 5.5): 177.1; (8)ACD/KOC (pH 7.4): 177.1; (9)#H bond acceptors: 6; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 63.22 Å²; (13)Index of Refraction: 1.58; (14)Molar Refractivity: 64.77 cm³; (15)Molar Volume: 194.5 cm³; (16)Polarizability: 25.67×10^-24cm³; (17)Surface Tension: 61.6 dyne/cm; (18)Density: 1.379 g/cm³; (19)Flash Point: 201.7 °C; (20)Enthalpy of Vaporization: 83.68 kJ/mol; (21)Boiling Point: 521.6 °C at 760 mmHg; (22)Vapour Pressure: 1.05E-11 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C[C@H](O)[C@@H](O)[C@@H]1OC(OC[C@H]1O)c2ccccc2
(2)InChI: InChI=1/C13H16O6/c14-6-9(15)11(17)12-10(16)7-18-13(19-12)8-4-2-1-3-5-8/h1-6,9-13,15-17H,7H2/t9-,10+,11+,12+,13?/m0/s1
(3)InChIKey: XTVRQMKOKFFGDZ-ZLUZDFLPBP

Product Name

4,6-O-BENZYLIDENE-D-GLUCOPYRANOSE

4,6-O-Benzylidene-D-glucopyranose Specification

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