ChemSpider 2D Image | 3,5-Dihydroxy-2-(2-methylbutanoyl)phenyl beta-D-glucopyranoside | C17H24O9

3,5-Dihydroxy-2-(2-methylbutanoyl)phenyl β-D-glucopyranoside

  • Molecular FormulaC17H24O9
  • Average mass372.367 Da
  • Monoisotopic mass372.142029 Da
  • ChemSpider ID24691106

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

1-Butanone, 1-[2-(β-D-glucopyranosyloxy)-4,6-dihydroxyphenyl]-2-methyl- [ACD/Index Name]
3,5-Dihydroxy-2-(2-methylbutanoyl)phenyl β-D-glucopyranoside [ACD/IUPAC Name]
3,5-Dihydroxy-2-(2-methylbutanoyl)phenyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de 3,5-dihydroxy-2-(2-méthylbutanoyl)phényle [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL458708/

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

Density: 1.5±0.1 g/cm3
Boiling Point: 625.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.4±3.0 kJ/mol
Flash Point: 225.3±25.0 °C
Index of Refraction: 1.621
Molar Refractivity: 89.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 0.43
ACD/LogD (pH 5.5): 0.35
ACD/BCF (pH 5.5): 1.07
ACD/KOC (pH 5.5): 36.22
ACD/LogD (pH 7.4): -0.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.88
Polar Surface Area: 157 Å2
Polarizability: 35.5±0.5 10-24cm3
Surface Tension: 67.1±3.0 dyne/cm
Molar Volume: 254.8±3.0 cm3

Click to predict properties on the Chemicalize site


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