ChemSpider 2D Image | 4-Hydroxy-2-(hydroxymethyl)phenyl 2-O-benzoyl-beta-D-glucopyranoside | C20H22O9

4-Hydroxy-2-(hydroxymethyl)phenyl 2-O-benzoyl-β-D-glucopyranoside

  • Molecular FormulaC20H22O9
  • Average mass406.383 Da
  • Monoisotopic mass406.126373 Da
  • ChemSpider ID22914028

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2-O-Benzoyl-β-D-glucopyranoside de 4-hydroxy-2-(hydroxyméthyl)phényle [French] [ACD/IUPAC Name]
4-Hydroxy-2-(hydroxymethyl)phenyl 2-O-benzoyl-β-D-glucopyranoside [ACD/IUPAC Name]
4-Hydroxy-2-(hydroxymethyl)phenyl-2-O-benzoyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside, 4-hydroxy-2-(hydroxymethyl)phenyl, 2-benzoate [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL497134/
ITOSIDE A

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

Density: 1.5±0.1 g/cm3
Boiling Point: 695.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.9±3.0 kJ/mol
Flash Point: 247.6±25.0 °C
Index of Refraction: 1.669
Molar Refractivity: 99.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 1.34
ACD/LogD (pH 5.5): 0.63
ACD/BCF (pH 5.5): 1.79
ACD/KOC (pH 5.5): 52.71
ACD/LogD (pH 7.4): 0.63
ACD/BCF (pH 7.4): 1.78
ACD/KOC (pH 7.4): 52.56
Polar Surface Area: 146 Å2
Polarizability: 39.4±0.5 10-24cm3
Surface Tension: 83.8±5.0 dyne/cm
Molar Volume: 266.4±5.0 cm3

Click to predict properties on the Chemicalize site


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