ChemSpider 2D Image | (2R,3S)-2,5-Dihydroxy-3-(4-methoxyphenyl)-4-oxo-7-chromanolate | C16H13O6

(2R,3S)-2,5-Dihydroxy-3-(4-methoxyphenyl)-4-oxo-7-chromanolate

  • Molecular FormulaC16H13O6
  • Average mass301.271 Da
  • Monoisotopic mass301.071747 Da
  • ChemSpider ID128920992

  • Charge - Charge

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,3S)-2,5-Dihydroxy-3-(4-methoxyphenyl)-4-oxo-7-chromanolat [German] [ACD/IUPAC Name]
(2R,3S)-2,5-Dihydroxy-3-(4-methoxyphenyl)-4-oxo-7-chromanolate [ACD/IUPAC Name]
(2R,3S)-2,5-Dihydroxy-3-(4-méthoxyphényl)-4-oxo-7-chromanolate [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2,3-dihydro-2,5,7-trihydroxy-3-(4-methoxyphenyl)-, ion(1-), (2R,3S)- [ACD/Index Name]
2,5,7-trihydroxy-4'-methoxyisoflavanone

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

Density:
Boiling Point: 595.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.3±3.0 kJ/mol
Flash Point: 226.6±23.6 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.89
ACD/LogD (pH 5.5): 2.43
ACD/BCF (pH 5.5): 41.26
ACD/KOC (pH 5.5): 495.46
ACD/LogD (pH 7.4): 1.96
ACD/BCF (pH 7.4): 13.90
ACD/KOC (pH 7.4): 166.88
Polar Surface Area: 99 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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