ChemSpider 2D Image | 2-(3-Acetoxy-4-methoxyphenyl)-3,6,7-trimethoxy-4-oxo-4H-chromen-5-yl acetate | C23H22O10

2-(3-Acetoxy-4-methoxyphenyl)-3,6,7-trimethoxy-4-oxo-4H-chromen-5-yl acetate

  • Molecular FormulaC23H22O10
  • Average mass458.415 Da
  • Monoisotopic mass458.121307 Da
  • ChemSpider ID23327222

More details:

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

2-(3-Acetoxy-4-methoxyphenyl)-3,6,7-trimethoxy-4-oxo-4H-chromen-5-yl acetate [ACD/IUPAC Name]
2-(3-Acetoxy-4-methoxyphenyl)-3,6,7-trimethoxy-4-oxo-4H-chromen-5-yl-acetat [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 5-(acetyloxy)-2-[3-(acetyloxy)-4-methoxyphenyl]-3,6,7-trimethoxy- [ACD/Index Name]
Acétate de 2-(3-acétoxy-4-méthoxyphényl)-3,6,7-triméthoxy-4-oxo-4H-chromén-5-yle [French] [ACD/IUPAC Name]
2-[3-(acetyloxy)-4-methoxyphenyl]-3,6,7-trimethoxy-4-oxo-4H-chromen-5-yl acetate
5,3'-Diacetoxy-3,6,7,4'-tetramethoxyflavone
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL462316/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 603.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.7±3.0 kJ/mol
Flash Point: 260.2±31.5 °C
Index of Refraction: 1.587
Molar Refractivity: 112.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 1.20
ACD/LogD (pH 5.5): 2.42
ACD/BCF (pH 5.5): 40.92
ACD/KOC (pH 5.5): 495.95
ACD/LogD (pH 7.4): 2.42
ACD/BCF (pH 7.4): 40.92
ACD/KOC (pH 7.4): 495.95
Polar Surface Area: 116 Å2
Polarizability: 44.5±0.5 10-24cm3
Surface Tension: 56.5±5.0 dyne/cm
Molar Volume: 334.2±5.0 cm3

Click to predict properties on the Chemicalize site


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