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

4-Hydroxy-2-methoxyphenyl 6-O-(4-hydroxy-3,5-dimethoxybenzoyl)-β-D-glucopyranoside

  • Molecular FormulaC22H26O12
  • Average mass482.435 Da
  • Monoisotopic mass482.142426 Da
  • ChemSpider ID28425590

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

4-Hydroxy-2-methoxyphenyl 6-O-(4-hydroxy-3,5-dimethoxybenzoyl)-β-D-glucopyranoside [ACD/IUPAC Name]
4-Hydroxy-2-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-2-méthoxyphényle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 4-hydroxy-2-methoxyphenyl, 6-(4-hydroxy-3,5-dimethoxybenzoate) [ACD/Index Name]
[945259-61-0] [RN]
4-Hydroxy-2-methoxyphenol 1-O-(6-O-syringoyl)glucoside
945259-61-0 [RN]
MFCD20274977

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

Density: 1.5±0.1 g/cm3
Boiling Point: 731.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.1±3.0 kJ/mol
Flash Point: 251.5±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: 1.25
ACD/LogD (pH 5.5): 0.67
ACD/BCF (pH 5.5): 1.89
ACD/KOC (pH 5.5): 54.78
ACD/LogD (pH 7.4): 0.60
ACD/BCF (pH 7.4): 1.61
ACD/KOC (pH 7.4): 46.88
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


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