ChemSpider 2D Image | 4-Hydroxybenzyl beta-D-glucopyranoside | C13H18O7

4-Hydroxybenzyl β-D-glucopyranoside

  • Molecular FormulaC13H18O7
  • Average mass286.278 Da
  • Monoisotopic mass286.105255 Da
  • ChemSpider ID59000580

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

4-Hydroxybenzyl β-D-glucopyranoside [ACD/IUPAC Name]
4-Hydroxybenzyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de 4-hydroxybenzyle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (4-hydroxyphenyl)methyl [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 546.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.9±3.0 kJ/mol
Flash Point: 284.4±30.1 °C
Index of Refraction: 1.642
Molar Refractivity: 68.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -1.45
ACD/LogD (pH 5.5): -0.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.04
ACD/LogD (pH 7.4): -0.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.00
Polar Surface Area: 120 Å2
Polarizability: 27.0±0.5 10-24cm3
Surface Tension: 82.2±5.0 dyne/cm
Molar Volume: 188.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement