ChemSpider 2D Image | 2-(2,4,5-Trihydroxyphenyl)ethyl 2-O-[(2,4,5-trihydroxyphenyl)acetyl]-beta-D-glucopyranoside | C22H26O13

2-(2,4,5-Trihydroxyphenyl)ethyl 2-O-[(2,4,5-trihydroxyphenyl)acetyl]-β-D-glucopyranoside

  • Molecular FormulaC22H26O13
  • Average mass498.434 Da
  • Monoisotopic mass498.137329 Da
  • ChemSpider ID23326633

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2-(2,4,5-Trihydroxyphenyl)ethyl 2-O-[(2,4,5-trihydroxyphenyl)acetyl]-β-D-glucopyranoside [ACD/IUPAC Name]
2-(2,4,5-Trihydroxyphenyl)ethyl-2-O-[(2,4,5-trihydroxyphenyl)acetyl]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
2-O-[2-(2,4,5-Trihydroxyphényl)acétyl]-β-D-glucopyranoside de 2-(2,4,5-trihydroxyphényl)éthyle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 2-(2,4,5-trihydroxyphenyl)ethyl, 2-[2-(2,4,5-trihydroxyphenyl)acetate] [ACD/Index Name]
2-(2,4,5-trihydroxyphenyl)ethyl 2-O-(3,4-dihydroxyphenylethanoyl)-β-D-glucopyranoside
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL469425/

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

Density: 1.7±0.1 g/cm3
Boiling Point: 839.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 127.9±3.0 kJ/mol
Flash Point: 288.9±27.8 °C
Index of Refraction: 1.735
Molar Refractivity: 114.7±0.4 cm3
#H bond acceptors: 13
#H bond donors: 9
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -0.72
ACD/LogD (pH 5.5): -0.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.43
ACD/LogD (pH 7.4): -0.74
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.35
Polar Surface Area: 227 Å2
Polarizability: 45.5±0.5 10-24cm3
Surface Tension: 120.5±5.0 dyne/cm
Molar Volume: 285.8±5.0 cm3

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