ChemSpider 2D Image | 4-[(2S)-5,7-Dihydroxy-6,8-dimethyl-4-oxo-3,4-dihydro-2H-chromen-2-yl]phenyl beta-D-glucopyranoside | C23H26O10

4-[(2S)-5,7-Dihydroxy-6,8-dimethyl-4-oxo-3,4-dihydro-2H-chromen-2-yl]phenyl β-D-glucopyranoside

  • Molecular FormulaC23H26O10
  • Average mass462.447 Da
  • Monoisotopic mass462.152588 Da
  • ChemSpider ID84487563

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

4-[(2S)-5,7-Dihydroxy-6,8-dimethyl-4-oxo-3,4-dihydro-2H-chromen-2-yl]phenyl β-D-glucopyranoside [ACD/IUPAC Name]
4-[(2S)-5,7-Dihydroxy-6,8-dimethyl-4-oxo-3,4-dihydro-2H-chromen-2-yl]phenyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-[4-(β-D-glucopyranosyloxy)phenyl]-2,3-dihydro-5,7-dihydroxy-6,8-dimethyl-, (2S)- [ACD/Index Name]
β-D-Glucopyranoside de 4-[(2S)-5,7-dihydroxy-6,8-diméthyl-4-oxo-3,4-dihydro-2H-chromén-2-yl]phényle [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 783.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 119.6±3.0 kJ/mol
Flash Point: 272.0±26.4 °C
Index of Refraction: 1.670
Molar Refractivity: 113.7±0.3 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 1.96
ACD/LogD (pH 5.5): 1.53
ACD/BCF (pH 5.5): 8.54
ACD/KOC (pH 5.5): 161.36
ACD/LogD (pH 7.4): 1.41
ACD/BCF (pH 7.4): 6.54
ACD/KOC (pH 7.4): 123.63
Polar Surface Area: 166 Å2
Polarizability: 45.1±0.5 10-24cm3
Surface Tension: 77.9±3.0 dyne/cm
Molar Volume: 304.5±3.0 cm3

Click to predict properties on the Chemicalize site


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