ChemSpider 2D Image | (3R)-3,5,7-Trihydroxy-3-(3-hydroxy-4-methoxybenzyl)-2,3-dihydro-4H-chromen-4-one | C17H16O7

(3R)-3,5,7-Trihydroxy-3-(3-hydroxy-4-methoxybenzyl)-2,3-dihydro-4H-chromen-4-one

  • Molecular FormulaC17H16O7
  • Average mass332.305 Da
  • Monoisotopic mass332.089600 Da
  • ChemSpider ID129306140

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-3,5,7-Trihydroxy-3-(3-hydroxy-4-methoxybenzyl)-2,3-dihydro-4H-chromen-4-on [German] [ACD/IUPAC Name]
(3R)-3,5,7-Trihydroxy-3-(3-hydroxy-4-methoxybenzyl)-2,3-dihydro-4H-chromen-4-one [ACD/IUPAC Name]
(3R)-3,5,7-Trihydroxy-3-(3-hydroxy-4-méthoxybenzyl)-2,3-dihydro-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2,3-dihydro-3,5,7-trihydroxy-3-[(3-hydroxy-4-methoxyphenyl)methyl]-, (3R)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 637.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.0±3.0 kJ/mol
Flash Point: 238.1±25.0 °C
Index of Refraction: 1.693
Molar Refractivity: 83.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.59
ACD/LogD (pH 5.5): 2.37
ACD/BCF (pH 5.5): 36.70
ACD/KOC (pH 5.5): 455.78
ACD/LogD (pH 7.4): 1.90
ACD/BCF (pH 7.4): 12.73
ACD/KOC (pH 7.4): 158.17
Polar Surface Area: 116 Å2
Polarizability: 33.0±0.5 10-24cm3
Surface Tension: 80.5±3.0 dyne/cm
Molar Volume: 216.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement