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Phenyl 4,6-O-benzylidene-beta-D-glucopyranoside

  • Name Phenyl 4,6-O-benzylidene-beta-D-glucopyranoside
  • EINECSN/A
  • CAS No. 75829-66-2
  • DensityN/A
  • PSA77.38000
  • LogP1.62630
  • SolubilityN/A
  • Melting Point194-196 °C (dec.)(lit.)
  • FormulaC19H20O6
  • Boiling PointN/A
  • Molecular Weight344.364
  • Flash PointN/A
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 75829-66-2 ((-)-(4,6-O-BENZYLIDENE)PHENYL-BETA-D-GLUCOPYRANOSIDE)
  • Hazard SymbolsN/A
  • SynonymsN/A
  • Article Data10

Phenyl 4,6-O-benzylidene-beta-D-glucopyranoside Specification

This product is an organic compound with the formula C19H20O6. The systematic name of this chemical is phenyl 4,6-O-(phenylmethylidene)-β-D-glucopyranoside. With the CAS registry number 75829-66-2, it is also named as (-)-(4,6-O-Benzylidene)phenyl-b-D-glucopyranoside. The product's categories are Carbohydrate Synthesis; Monosaccharides; Specialty Synthesis. In addition, the molecular weight is 344.36.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 4.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.42; (4)ACD/LogD (pH 7.4): 4.42; (5)ACD/BCF (pH 5.5): 1338.66; (6)ACD/BCF (pH 7.4): 1338.64; (7)ACD/KOC (pH 5.5): 6020.99; (8)ACD/KOC (pH 7.4): 6020.92; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 77.38 Å2; (13)Index of Refraction: 1.603; (14)Molar Refractivity: 89.07 cm3; (15)Molar Volume: 259.2 cm3; (16)Polarizability: 35.31×10-24 cm3; (17)Surface Tension: 53.4 dyne/cm; (18)Density: 1.328 g/cm3; (19)Flash Point: 290.2 °C; (20)Enthalpy of Vaporization: 88.14 kJ/mol; (21)Boiling Point: 556.2 °C at 760 mmHg; (22)Vapour Pressure: 3.31E-13 mmHg at 25°C.

People can use the following data to convert to the molecule structure. 
1. SMILES:O[C@H]2[C@@H](O[C@@H]1COC(O[C@H]1[C@@H]2O)c3ccccc3)Oc4ccccc4
2. InChI:InChI=1/C19H20O6/c20-15-16(21)19(23-13-9-5-2-6-10-13)24-14-11-22-18(25-17(14)15)12-7-3-1-4-8-12/h1-10,14-21H,11H2/t14-,15-,16-,17-,18,19-/m1/s1
3. InChIKey:VEVONSHXUHYXKX-HIQCEYAYBP
4. Std. InChI:InChI=1S/C19H20O6/c20-15-16(21)19(23-13-9-5-2-6-10-13)24-14-11-22-18(25-17(14)15)12-7-3-1-4-8-12/h1-10,14-21H,11H2/t14-,15-,16-,17-,18?,19-/m1/s1
5. Std. InChIKey:VEVONSHXUHYXKX-HIQCEYAYSA-N

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