ChemSpider 2D Image | 5,6-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxy-4-oxo-4H-chromen-7-yl alpha-D-allopyranoside | C23H24O13

5,6-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxy-4-oxo-4H-chromen-7-yl α-D-allopyranoside

  • Molecular FormulaC23H24O13
  • Average mass508.429 Da
  • Monoisotopic mass508.121704 Da
  • ChemSpider ID553078

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

4H-1-Benzopyran-4-one, 7-(α-D-allopyranosyloxy)-5,6-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxy- [ACD/Index Name]
5,6-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxy-4-oxo-4H-chromen-7-yl α-D-allopyranoside [ACD/IUPAC Name]
5,6-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxy-4-oxo-4H-chromen-7-yl-α-D-allopyranosid [German] [ACD/IUPAC Name]
α-D-Allopyranoside de 5,6-dihydroxy-2-(3-hydroxy-4-méthoxyphényl)-3-méthoxy-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]
4H-1-benzopyran-4-one, 7-(hexopyranosyloxy)-5,6-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxy-
5,6-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxy-4-oxo-4H-chromen-7-yl hexopyranoside
5,6-Dihydroxy-2-(3-hydroxy-4-methoxy-phenyl)-3-methoxy-7-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-chromen-4-one
Quercetagenin 3,4'-dimethyl ether 7-O-β-D-glucopyranoside

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

Density: 1.7±0.1 g/cm3
Boiling Point: 870.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.6±3.0 kJ/mol
Flash Point: 299.8±27.8 °C
Index of Refraction: 1.730
Molar Refractivity: 117.2±0.4 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: -1.14
ACD/LogD (pH 5.5): -0.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.49
ACD/LogD (pH 7.4): -2.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 205 Å2
Polarizability: 46.5±0.5 10-24cm3
Surface Tension: 107.1±5.0 dyne/cm
Molar Volume: 293.6±5.0 cm3

Click to predict properties on the Chemicalize site


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