ChemSpider 2D Image | 5-Hydroxy-4-oxo-2-phenyl-4H-chromen-7-yl 6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside | C27H30O14

5-Hydroxy-4-oxo-2-phenyl-4H-chromen-7-yl 6-O-β-D-glucopyranosyl-β-D-glucopyranoside

  • Molecular FormulaC27H30O14
  • Average mass578.519 Da
  • Monoisotopic mass578.163574 Da
  • ChemSpider ID60599940
  • defined stereocentres - 10 of 10 defined stereocentres


More details:






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

4H-1-Benzopyran-4-one, 7-[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-5-hydroxy-2-phenyl- [ACD/Index Name]
5-Hydroxy-4-oxo-2-phenyl-4H-chromen-7-yl 6-O-β-D-glucopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
5-Hydroxy-4-oxo-2-phenyl-4H-chromen-7-yl-6-O-β-D-glucopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-β-D-Glucopyranosyl-β-D-glucopyranoside de 5-hydroxy-4-oxo-2-phényl-4H-chromén-7-yle [French] [ACD/IUPAC Name]
88640-89-5 [RN]
Chrysin 7-o-β-gentiobioside

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point: 916.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 139.7±3.0 kJ/mol
Flash Point: 305.6±27.8 °C
Index of Refraction: 1.725
Molar Refractivity: 135.3±0.4 cm3
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -0.66
ACD/LogD (pH 5.5): -0.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.34
ACD/LogD (pH 7.4): -1.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 225 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 105.0±5.0 dyne/cm
Molar Volume: 340.8±5.0 cm3

Click to predict properties on the Chemicalize site






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