ChemSpider 2D Image | Persicogenin | C17H16O6

Persicogenin

  • Molecular FormulaC17H16O6
  • Average mass316.305 Da
  • Monoisotopic mass316.094696 Da
  • ChemSpider ID31122037

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-2,3-dihydro-1-benzopyran-4-one
(2S)-5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-2,3-dihydro-4H-chromen-4-on [German] [ACD/IUPAC Name]
(2S)-5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-2,3-dihydro-4H-chromen-4-one [ACD/IUPAC Name]
(2S)-5-Hydroxy-2-(3-hydroxy-4-méthoxyphényl)-7-méthoxy-2,3-dihydro-4H-chromén-4-one [French] [ACD/IUPAC Name]
(2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-3,4-dihydro-2H-1-benzopyran-4-one
28590-40-1 [RN]
4H-1-Benzopyran-4-one, 2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-, (2S)- [ACD/Index Name]
Persicogenin
(2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one

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

Density: 1.4±0.1 g/cm3
Boiling Point: 574.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.3±3.0 kJ/mol
Flash Point: 215.0±23.6 °C
Index of Refraction: 1.619
Molar Refractivity: 81.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.08
ACD/LogD (pH 5.5): 2.99
ACD/BCF (pH 5.5): 110.24
ACD/KOC (pH 5.5): 1004.46
ACD/LogD (pH 7.4): 2.69
ACD/BCF (pH 7.4): 54.88
ACD/KOC (pH 7.4): 500.03
Polar Surface Area: 85 Å2
Polarizability: 32.4±0.5 10-24cm3
Surface Tension: 56.2±3.0 dyne/cm
Molar Volume: 232.9±3.0 cm3

Click to predict properties on the Chemicalize site


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