ChemSpider 2D Image | (2R,3R)-2-(3,5-Dihydroxy-4-methoxyphenyl)-3,7-dihydroxy-2,3-dihydro-4H-chromen-4-one | C16H14O7

(2R,3R)-2-(3,5-Dihydroxy-4-methoxyphenyl)-3,7-dihydroxy-2,3-dihydro-4H-chromen-4-one

  • Molecular FormulaC16H14O7
  • Average mass318.278 Da
  • Monoisotopic mass318.073944 Da
  • ChemSpider ID28425516

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,3R)-2-(3,5-Dihydroxy-4-methoxyphenyl)-3,7-dihydroxy-2,3-dihydro-4H-chromen-4-on [German] [ACD/IUPAC Name]
(2R,3R)-2-(3,5-Dihydroxy-4-methoxyphenyl)-3,7-dihydroxy-2,3-dihydro-4H-chromen-4-one [ACD/IUPAC Name]
(2R,3R)-2-(3,5-Dihydroxy-4-méthoxyphényl)-3,7-dihydroxy-2,3-dihydro-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-(3,5-dihydroxy-4-methoxyphenyl)-2,3-dihydro-3,7-dihydroxy-, (2R,3R)- [ACD/Index Name]
[72061-63-3] [RN]
72061-63-3 [RN]
MFCD20274681
Sepinol

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

Density: 1.6±0.1 g/cm3
Boiling Point: 659.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.9±3.0 kJ/mol
Flash Point: 249.9±25.0 °C
Index of Refraction: 1.695
Molar Refractivity: 78.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.76
ACD/LogD (pH 5.5): 1.03
ACD/BCF (pH 5.5): 3.57
ACD/KOC (pH 5.5): 86.36
ACD/LogD (pH 7.4): 0.79
ACD/BCF (pH 7.4): 2.05
ACD/KOC (pH 7.4): 49.52
Polar Surface Area: 116 Å2
Polarizability: 31.1±0.5 10-24cm3
Surface Tension: 79.1±3.0 dyne/cm
Molar Volume: 204.3±3.0 cm3

Click to predict properties on the Chemicalize site


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