ChemSpider 2D Image | 3-Hydroxy-2-(4-hydroxybenzoyl)-5-methoxyphenyl beta-D-glucopyranoside | C20H22O10

3-Hydroxy-2-(4-hydroxybenzoyl)-5-methoxyphenyl β-D-glucopyranoside

  • Molecular FormulaC20H22O10
  • Average mass422.383 Da
  • Monoisotopic mass422.121307 Da
  • ChemSpider ID28669243

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

3-Hydroxy-2-(4-hydroxybenzoyl)-5-methoxyphenyl β-D-glucopyranoside [ACD/IUPAC Name]
3-Hydroxy-2-(4-hydroxybenzoyl)-5-methoxyphenyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
Methanone, [2-(β-D-glucopyranosyloxy)-6-hydroxy-4-methoxyphenyl](4-hydroxyphenyl)- [ACD/Index Name]
β-D-Glucopyranoside de 3-hydroxy-2-(4-hydroxybenzoyl)-5-méthoxyphényle [French] [ACD/IUPAC 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: 766.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 117.1±3.0 kJ/mol
Flash Point: 272.4±26.4 °C
Index of Refraction: 1.664
Molar Refractivity: 102.2±0.3 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 0.66
ACD/LogD (pH 5.5): 0.64
ACD/BCF (pH 5.5): 1.79
ACD/KOC (pH 5.5): 51.99
ACD/LogD (pH 7.4): -0.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.39
Polar Surface Area: 166 Å2
Polarizability: 40.5±0.5 10-24cm3
Surface Tension: 72.4±3.0 dyne/cm
Molar Volume: 275.5±3.0 cm3

Click to predict properties on the Chemicalize site


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