ChemSpider 2D Image | (3R)-6-Hydroxy-3-(4-hydroxy-3-methoxybenzyl)-5,7-dimethoxy-2,3-dihydro-4H-chromen-4-one | C19H20O7

(3R)-6-Hydroxy-3-(4-hydroxy-3-methoxybenzyl)-5,7-dimethoxy-2,3-dihydro-4H-chromen-4-one

  • Molecular FormulaC19H20O7
  • Average mass360.358 Da
  • Monoisotopic mass360.120911 Da
  • ChemSpider ID57641912
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(3R)-6-Hydroxy-3-(4-hydroxy-3-methoxybenzyl)-5,7-dimethoxy-2,3-dihydro-4H-chromen-4-on [German] [ACD/IUPAC Name]
(3R)-6-Hydroxy-3-(4-hydroxy-3-methoxybenzyl)-5,7-dimethoxy-2,3-dihydro-4H-chromen-4-one [ACD/IUPAC Name]
(3R)-6-Hydroxy-3-(4-hydroxy-3-méthoxybenzyl)-5,7-diméthoxy-2,3-dihydro-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2,3-dihydro-6-hydroxy-3-[(4-hydroxy-3-methoxyphenyl)methyl]-5,7-dimethoxy-, (3R)- [ACD/Index Name]
849727-92-0 [RN]
Zebrinin B

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

Density: 1.3±0.1 g/cm3
Boiling Point: 605.5±55.0 °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: 219.0±25.0 °C
Index of Refraction: 1.603
Molar Refractivity: 93.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.19
ACD/LogD (pH 5.5): 2.12
ACD/BCF (pH 5.5): 24.00
ACD/KOC (pH 5.5): 338.51
ACD/LogD (pH 7.4): 2.12
ACD/BCF (pH 7.4): 23.78
ACD/KOC (pH 7.4): 335.45
Polar Surface Area: 94 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 54.5±3.0 dyne/cm
Molar Volume: 271.0±3.0 cm3

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