ChemSpider 2D Image | 2-Hydroxy-4-(5-hydroxy-6,7-dimethoxy-4-oxo-4H-chromen-2-yl)phenyl beta-D-glucopyranoside | C23H24O12

2-Hydroxy-4-(5-hydroxy-6,7-dimethoxy-4-oxo-4H-chromen-2-yl)phenyl β-D-glucopyranoside

  • Molecular FormulaC23H24O12
  • Average mass492.430 Da
  • Monoisotopic mass492.126770 Da
  • ChemSpider ID23327451

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2-Hydroxy-4-(5-hydroxy-6,7-dimethoxy-4-oxo-4H-chromen-2-yl)phenyl β-D-glucopyranoside [ACD/IUPAC Name]
2-Hydroxy-4-(5-hydroxy-6,7-dimethoxy-4-oxo-4H-chromen-2-yl)phenyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-[4-(β-D-glucopyranosyloxy)-3-hydroxyphenyl]-5-hydroxy-6,7-dimethoxy- [ACD/Index Name]
β-D-Glucopyranoside de 2-hydroxy-4-(5-hydroxy-6,7-diméthoxy-4-oxo-4H-chromén-2-yl)phényle [French] [ACD/IUPAC Name]
5-hydroxy-2-(3-hydroxy-4-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)phenyl)-6,7-dimethoxy-4H-chromen-4-one
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL487212/

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

Density: 1.6±0.1 g/cm3
Boiling Point: 813.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.0±3.0 kJ/mol
Flash Point: 281.1±27.8 °C
Index of Refraction: 1.676
Molar Refractivity: 117.0±0.3 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -0.19
ACD/LogD (pH 5.5): -0.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 19.38
ACD/LogD (pH 7.4): -1.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.67
Polar Surface Area: 185 Å2
Polarizability: 46.4±0.5 10-24cm3
Surface Tension: 80.1±3.0 dyne/cm
Molar Volume: 311.2±3.0 cm3

Click to predict properties on the Chemicalize site


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