ChemSpider 2D Image | (2S,7aS,10R,10aR)-5-Methoxy-9,9-dimethyl-4-oxo-2-phenyl-3,4,7a,9,10,10a-hexahydro-2H-furo[3',2':4,5]furo[2,3-h]chromen-10-yl acetate | C24H24O7

(2S,7aS,10R,10aR)-5-Methoxy-9,9-dimethyl-4-oxo-2-phenyl-3,4,7a,9,10,10a-hexahydro-2H-furo[3',2':4,5]furo[2,3-h]chromen-10-yl acetate

  • Molecular FormulaC24H24O7
  • Average mass424.443 Da
  • Monoisotopic mass424.152191 Da
  • ChemSpider ID23326955

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S,7aS,10R,10aR)-5-Methoxy-9,9-dimethyl-4-oxo-2-phenyl-3,4,7a,9,10,10a-hexahydro-2H-furo[3',2':4,5]furo[2,3-h]chromen-10-yl acetate [ACD/IUPAC Name]
(2S,7aS,10R,10aR)-5-Methoxy-9,9-dimethyl-4-oxo-2-phenyl-3,4,7a,9,10,10a-hexahydro-2H-furo[3',2':4,5]furo[2,3-h]chromen-10-yl-acetat [German] [ACD/IUPAC Name]
4H-Furo[3',2':4,5]furo[2,3-h]-1-benzopyran-4-one, 10-(acetyloxy)-2,3,7a,9,10,10a-hexahydro-5-methoxy-9,9-dimethyl-2-phenyl-, (2S,7aS,10R,10aR)- [ACD/Index Name]
Acétate de (2S,7aS,10R,10aR)-5-méthoxy-9,9-diméthyl-4-oxo-2-phényl-3,4,7a,9,10,10a-hexahydro-2H-furo[3',2':4,5]furo[2,3-h]chromén-10-yle [French] [ACD/IUPAC Name]
(+)-Purpurin
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL516163/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 572.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.8±3.0 kJ/mol
Flash Point: 248.3±30.2 °C
Index of Refraction: 1.615
Molar Refractivity: 109.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.72
ACD/LogD (pH 5.5): 3.65
ACD/BCF (pH 5.5): 352.02
ACD/KOC (pH 5.5): 2314.39
ACD/LogD (pH 7.4): 3.65
ACD/BCF (pH 7.4): 352.02
ACD/KOC (pH 7.4): 2314.39
Polar Surface Area: 80 Å2
Polarizability: 43.5±0.5 10-24cm3
Surface Tension: 56.6±5.0 dyne/cm
Molar Volume: 314.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement