ChemSpider 2D Image | (8R)-8-(3,4-Dihydroxyphenyl)-5-hydroxy-2,2-dimethyl-2,7,8,9-tetrahydro-6H-benzo[g]chromen-6-one | C21H20O5

(8R)-8-(3,4-Dihydroxyphenyl)-5-hydroxy-2,2-dimethyl-2,7,8,9-tetrahydro-6H-benzo[g]chromen-6-one

  • Molecular FormulaC21H20O5
  • Average mass352.380 Da
  • Monoisotopic mass352.131073 Da
  • ChemSpider ID28285220

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(8R)-8-(3,4-Dihydroxyphenyl)-5-hydroxy-2,2-dimethyl-2,7,8,9-tetrahydro-6H-benzo[g]chromen-6-on [German] [ACD/IUPAC Name]
(8R)-8-(3,4-Dihydroxyphenyl)-5-hydroxy-2,2-dimethyl-2,7,8,9-tetrahydro-6H-benzo[g]chromen-6-one [ACD/IUPAC Name]
(8R)-8-(3,4-Dihydroxyphényl)-5-hydroxy-2,2-diméthyl-2,7,8,9-tétrahydro-6H-benzo[g]chromén-6-one [French] [ACD/IUPAC Name]
6H-Naphtho[2,3-b]pyran-6-one, 8-(3,4-dihydroxyphenyl)-2,7,8,9-tetrahydro-5-hydroxy-2,2-dimethyl-, (8R)- [ACD/Index Name]
zygolone A

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

Density: 1.3±0.1 g/cm3
Boiling Point: 581.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.2±3.0 kJ/mol
Flash Point: 209.3±23.6 °C
Index of Refraction: 1.654
Molar Refractivity: 96.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 5.68
ACD/LogD (pH 5.5): 4.76
ACD/BCF (pH 5.5): 2425.51
ACD/KOC (pH 5.5): 9200.39
ACD/LogD (pH 7.4): 4.61
ACD/BCF (pH 7.4): 1727.81
ACD/KOC (pH 7.4): 6553.88
Polar Surface Area: 87 Å2
Polarizability: 38.0±0.5 10-24cm3
Surface Tension: 59.4±3.0 dyne/cm
Molar Volume: 261.8±3.0 cm3

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