ChemSpider 2D Image | (2R,3R)-3,5-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-7-chromanolate | C16H13O7

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

  • Molecular FormulaC16H13O7
  • Average mass317.271 Da
  • Monoisotopic mass317.066681 Da
  • ChemSpider ID128921066

  • Charge - Charge

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

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

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

Density:
Boiling Point: 640.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.4±3.0 kJ/mol
Flash Point: 242.7±25.0 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.12
ACD/LogD (pH 5.5): 1.99
ACD/BCF (pH 5.5): 18.89
ACD/KOC (pH 5.5): 283.12
ACD/LogD (pH 7.4): 1.49
ACD/BCF (pH 7.4): 6.10
ACD/KOC (pH 7.4): 91.37
Polar Surface Area: 119 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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