ChemSpider 2D Image | 4-Hydroxyphenyl 6-O-(4-hydroxybenzoyl)-2-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranoside | C26H24O13

4-Hydroxyphenyl 6-O-(4-hydroxybenzoyl)-2-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranoside

  • Molecular FormulaC26H24O13
  • Average mass544.461 Da
  • Monoisotopic mass544.121704 Da
  • ChemSpider ID24709379

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

4-Hydroxyphenyl 6-O-(4-hydroxybenzoyl)-2-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranoside [ACD/IUPAC Name]
4-Hydroxyphenyl-6-O-(4-hydroxybenzoyl)-2-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-(4-Hydroxybenzoyl)-2-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranoside de 4-hydroxyphényle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 4-hydroxyphenyl, 6-(4-hydroxybenzoate) 2-(3,4,5-trihydroxybenzoate) [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL498793/
HYEMALOSIDE B

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

Density: 1.7±0.1 g/cm3
Boiling Point: 894.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.2±3.0 kJ/mol
Flash Point: 302.2±27.8 °C
Index of Refraction: 1.737
Molar Refractivity: 129.0±0.4 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 3.94
ACD/LogD (pH 5.5): 2.68
ACD/BCF (pH 5.5): 64.02
ACD/KOC (pH 5.5): 681.58
ACD/LogD (pH 7.4): 2.43
ACD/BCF (pH 7.4): 36.08
ACD/KOC (pH 7.4): 384.05
Polar Surface Area: 213 Å2
Polarizability: 51.1±0.5 10-24cm3
Surface Tension: 108.1±5.0 dyne/cm
Molar Volume: 320.7±5.0 cm3

Click to predict properties on the Chemicalize site


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