ChemSpider 2D Image | (3S)-3,5,7-Trihydroxy-3-(2-hydroxy-4-methoxyphenyl)-2,3-dihydro-4H-chromen-4-one | C16H14O7

(3S)-3,5,7-Trihydroxy-3-(2-hydroxy-4-methoxyphenyl)-2,3-dihydro-4H-chromen-4-one

  • Molecular FormulaC16H14O7
  • Average mass318.278 Da
  • Monoisotopic mass318.073944 Da
  • ChemSpider ID23312946

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3,5,7-Trihydroxy-3-(2-hydroxy-4-methoxyphenyl)-2,3-dihydro-4H-chromen-4-on [German] [ACD/IUPAC Name]
(3S)-3,5,7-Trihydroxy-3-(2-hydroxy-4-methoxyphenyl)-2,3-dihydro-4H-chromen-4-one [ACD/IUPAC Name]
(3S)-3,5,7-Trihydroxy-3-(2-hydroxy-4-méthoxyphényl)-2,3-dihydro-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2,3-dihydro-3,5,7-trihydroxy-3-(2-hydroxy-4-methoxyphenyl)-, (3S)- [ACD/Index Name]
(3R)-4'-methoxy-2',3,7-trihydroxyisoflavanone

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

Density: 1.6±0.1 g/cm3
Boiling Point: 646.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.2±3.0 kJ/mol
Flash Point: 245.1±25.0 °C
Index of Refraction: 1.701
Molar Refractivity: 78.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.54
ACD/LogD (pH 5.5): 2.13
ACD/BCF (pH 5.5): 24.43
ACD/KOC (pH 5.5): 340.34
ACD/LogD (pH 7.4): 1.63
ACD/BCF (pH 7.4): 7.61
ACD/KOC (pH 7.4): 105.97
Polar Surface Area: 116 Å2
Polarizability: 31.1±0.5 10-24cm3
Surface Tension: 81.7±3.0 dyne/cm
Molar Volume: 202.7±3.0 cm3

Click to predict properties on the Chemicalize site


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