ChemSpider 2D Image | (3R)-3-(2,3-Dihydroxy-4-methoxybenzyl)-5,7-dihydroxy-8-methoxy-6-methyl-2,3-dihydro-4H-chromen-4-one | C19H20O8

(3R)-3-(2,3-Dihydroxy-4-methoxybenzyl)-5,7-dihydroxy-8-methoxy-6-methyl-2,3-dihydro-4H-chromen-4-one

  • Molecular FormulaC19H20O8
  • Average mass376.357 Da
  • Monoisotopic mass376.115814 Da
  • ChemSpider ID24679413

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-3-(2,3-Dihydroxy-4-methoxybenzyl)-5,7-dihydroxy-8-methoxy-6-methyl-2,3-dihydro-4H-chromen-4-on [German] [ACD/IUPAC Name]
(3R)-3-(2,3-Dihydroxy-4-methoxybenzyl)-5,7-dihydroxy-8-methoxy-6-methyl-2,3-dihydro-4H-chromen-4-one [ACD/IUPAC Name]
(3R)-3-(2,3-Dihydroxy-4-méthoxybenzyl)-5,7-dihydroxy-8-méthoxy-6-méthyl-2,3-dihydro-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3-[(2,3-dihydroxy-4-methoxyphenyl)methyl]-2,3-dihydro-5,7-dihydroxy-8-methoxy-6-methyl-, (3R)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 654.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.9±3.0 kJ/mol
Flash Point: 236.6±25.0 °C
Index of Refraction: 1.651
Molar Refractivity: 95.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.11
ACD/LogD (pH 5.5): 2.82
ACD/BCF (pH 5.5): 81.72
ACD/KOC (pH 5.5): 812.42
ACD/LogD (pH 7.4): 2.66
ACD/BCF (pH 7.4): 56.86
ACD/KOC (pH 7.4): 565.26
Polar Surface Area: 126 Å2
Polarizability: 37.7±0.5 10-24cm3
Surface Tension: 67.8±3.0 dyne/cm
Molar Volume: 260.1±3.0 cm3

Click to predict properties on the Chemicalize site


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