ChemSpider 2D Image | 3,5-Dihydroxy-2-[3-(4-hydroxyphenyl)propyl]phenyl beta-D-glucopyranoside | C21H26O9

3,5-Dihydroxy-2-[3-(4-hydroxyphenyl)propyl]phenyl β-D-glucopyranoside

  • Molecular FormulaC21H26O9
  • Average mass422.426 Da
  • Monoisotopic mass422.157684 Da
  • ChemSpider ID24717200

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

3,5-Dihydroxy-2-[3-(4-hydroxyphenyl)propyl]phenyl β-D-glucopyranoside [ACD/IUPAC Name]
3,5-Dihydroxy-2-[3-(4-hydroxyphenyl)propyl]phenyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de 3,5-dihydroxy-2-[3-(4-hydroxyphényl)propyl]phényle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 3,5-dihydroxy-2-[3-(4-hydroxyphenyl)propyl]phenyl [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL516247/

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

Density: 1.5±0.1 g/cm3
Boiling Point: 704.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 108.2±3.0 kJ/mol
Flash Point: 379.8±32.9 °C
Index of Refraction: 1.678
Molar Refractivity: 106.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 7
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 0.36
ACD/LogD (pH 5.5): 0.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 32.86
ACD/LogD (pH 7.4): 0.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 32.21
Polar Surface Area: 160 Å2
Polarizability: 42.1±0.5 10-24cm3
Surface Tension: 75.5±3.0 dyne/cm
Molar Volume: 281.8±3.0 cm3

Click to predict properties on the Chemicalize site


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