ChemSpider 2D Image | 4-Hydroxy-3-methoxyphenyl 6-O-(4-hydroxy-3,5-dimethoxybenzoyl)-beta-D-glucopyranoside | C22H26O12

4-Hydroxy-3-methoxyphenyl 6-O-(4-hydroxy-3,5-dimethoxybenzoyl)-β-D-glucopyranoside

  • Molecular FormulaC22H26O12
  • Average mass482.435 Da
  • Monoisotopic mass482.142426 Da
  • ChemSpider ID28424546

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

4-Hydroxy-3-methoxyphenyl 6-O-(4-hydroxy-3,5-dimethoxybenzoyl)-β-D-glucopyranoside [ACD/IUPAC Name]
4-Hydroxy-3-methoxyphenyl-6-O-(4-hydroxy-3,5-dimethoxybenzoyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-(4-Hydroxy-3,5-diméthoxybenzoyl)-β-D-glucopyranoside de 4-hydroxy-3-méthoxyphényle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 4-hydroxy-3-methoxyphenyl, 6-(4-hydroxy-3,5-dimethoxybenzoate) [ACD/Index Name]
[426821-85-4] [RN]
426821-85-4 [RN]
4-Hydroxy-3-methoxyphenol 1-O-(6-O-syringoyl)glucoside
4-Hydroxy-3-methoxyphenyl O-β-D-(6'-O-syringate)glucopyranoside
MFCD20260818

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

Density: 1.5±0.1 g/cm3
Boiling Point: 729.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.8±3.0 kJ/mol
Flash Point: 250.8±26.4 °C
Index of Refraction: 1.617
Molar Refractivity: 115.6±0.3 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 0.89
ACD/LogD (pH 5.5): 0.55
ACD/BCF (pH 5.5): 1.53
ACD/KOC (pH 5.5): 47.09
ACD/LogD (pH 7.4): 0.48
ACD/BCF (pH 7.4): 1.31
ACD/KOC (pH 7.4): 40.41
Polar Surface Area: 174 Å2
Polarizability: 45.8±0.5 10-24cm3
Surface Tension: 60.5±3.0 dyne/cm
Molar Volume: 330.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement