ChemSpider 2D Image | 5,6-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 6-O-acetyl-beta-D-glucopyranoside | C23H22O12

5,6-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 6-O-acetyl-β-D-glucopyranoside

  • Molecular FormulaC23H22O12
  • Average mass490.414 Da
  • Monoisotopic mass490.111115 Da
  • ChemSpider ID29213849

  • 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-[(6-O-acetyl-β-D-glucopyranosyl)oxy]-5,6-dihydroxy-2-(4-hydroxyphenyl)- [ACD/Index Name]
5,6-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 6-O-acetyl-β-D-glucopyranoside [ACD/IUPAC Name]
5,6-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl-6-O-acetyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-Acétyl-β-D-glucopyranoside de 5,6-dihydroxy-2-(4-hydroxyphényl)-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]
7tetrahydroxyflavoneacetylBglucopyranosi

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

Density: 1.6±0.1 g/cm3
Boiling Point: 815.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.3±3.0 kJ/mol
Flash Point: 282.8±27.8 °C
Index of Refraction: 1.691
Molar Refractivity: 115.1±0.3 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 1.50
ACD/LogD (pH 5.5): 0.82
ACD/BCF (pH 5.5): 2.30
ACD/KOC (pH 5.5): 57.69
ACD/LogD (pH 7.4): -0.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.59
Polar Surface Area: 192 Å2
Polarizability: 45.6±0.5 10-24cm3
Surface Tension: 86.8±3.0 dyne/cm
Molar Volume: 300.6±3.0 cm3

Click to predict properties on the Chemicalize site


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