ChemSpider 2D Image | (2R)-[(6-O-Benzoyl-beta-D-glucopyranosyl)oxy](phenyl)acetic acid | C21H22O9

(2R)-[(6-O-Benzoyl-β-D-glucopyranosyl)oxy](phenyl)acetic acid

  • Molecular FormulaC21H22O9
  • Average mass418.394 Da
  • Monoisotopic mass418.126373 Da
  • ChemSpider ID30818491

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2R)-[(6-O-Benzoyl-β-D-glucopyranosyl)oxy](phenyl)acetic acid [ACD/IUPAC Name]
(2R)-[(6-O-Benzoyl-β-D-glucopyranosyl)oxy](phenyl)essigsäure [German] [ACD/IUPAC Name]
Acide (2R)-[(6-O-benzoyl-β-D-glucopyranosyl)oxy](phényl)acétique [French] [ACD/IUPAC Name]
Benzeneacetic acid, α-[(6-O-benzoyl-β-D-glucopyranosyl)oxy]-, (αR)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 652.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.0±3.0 kJ/mol
Flash Point: 229.4±25.0 °C
Index of Refraction: 1.643
Molar Refractivity: 102.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.06
ACD/LogD (pH 5.5): -0.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 143 Å2
Polarizability: 40.7±0.5 10-24cm3
Surface Tension: 75.4±5.0 dyne/cm
Molar Volume: 283.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement