ChemSpider 2D Image | (3R)-5,7-Dihydroxy-3-(4-hydroxy-3-methoxybenzyl)-2,3-dihydro-4H-chromen-4-one | C17H16O6

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

  • Molecular FormulaC17H16O6
  • Average mass316.305 Da
  • Monoisotopic mass316.094696 Da
  • ChemSpider ID57641886
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(3R)-5,7-Dihydroxy-3-(4-hydroxy-3-methoxybenzyl)-2,3-dihydro-4H-chromen-4-on [German] [ACD/IUPAC Name]
(3R)-5,7-Dihydroxy-3-(4-hydroxy-3-methoxybenzyl)-2,3-dihydro-4H-chromen-4-one [ACD/IUPAC Name]
(3R)-5,7-Dihydroxy-3-(4-hydroxy-3-méthoxybenzyl)-2,3-dihydro-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-3-[(4-hydroxy-3-methoxyphenyl)methyl]-, (3R)- [ACD/Index Name]
5,7-dihydroxy-(4'-hydroxy-3'-methoxybenzyl)-4-chromanone
849727-89-5 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 588.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.1±3.0 kJ/mol
Flash Point: 220.5±23.6 °C
Index of Refraction: 1.659
Molar Refractivity: 81.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.35
ACD/LogD (pH 5.5): 2.90
ACD/BCF (pH 5.5): 93.50
ACD/KOC (pH 5.5): 891.65
ACD/LogD (pH 7.4): 2.52
ACD/BCF (pH 7.4): 38.96
ACD/KOC (pH 7.4): 371.52
Polar Surface Area: 96 Å2
Polarizability: 32.4±0.5 10-24cm3
Surface Tension: 67.3±3.0 dyne/cm
Molar Volume: 221.4±3.0 cm3

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