ChemSpider 2D Image | (1R,2R,11bS)-1-Hydroxy-2-methoxy-11b-methyl-1,7,8,11b-tetrahydrocyclopenta[7,8]phenanthro[10,1-bc]furan-3,6,9(2H)-trione | C20H16O6

(1R,2R,11bS)-1-Hydroxy-2-methoxy-11b-methyl-1,7,8,11b-tetrahydrocyclopenta[7,8]phenanthro[10,1-bc]furan-3,6,9(2H)-trione

  • Molecular FormulaC20H16O6
  • Average mass352.337 Da
  • Monoisotopic mass352.094696 Da
  • ChemSpider ID62631417

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1R,2R,11bS)-1-Hydroxy-2-methoxy-11b-methyl-1,7,8,11b-tetrahydrocyclopenta[7,8]phenanthro[10,1-bc]furan-3,6,9(2H)-trion [German] [ACD/IUPAC Name]
(1R,2R,11bS)-1-Hydroxy-2-methoxy-11b-methyl-1,7,8,11b-tetrahydrocyclopenta[7,8]phenanthro[10,1-bc]furan-3,6,9(2H)-trione [ACD/IUPAC Name]
(1R,2R,11bS)-1-Hydroxy-2-méthoxy-11b-méthyl-1,7,8,11b-tétrahydrocyclopenta[7,8]phénanthro[10,1-bc]furane-3,6,9(2H)-trione [French] [ACD/IUPAC Name]
Cyclopenta[7,8]phenanthro[10,1-bc]furan-3,6,9(2H)-trione, 1,7,8,11b-tetrahydro-1-hydroxy-2-methoxy-11b-methyl-, (1R,2R,11bS)- [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: 611.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.4±3.0 kJ/mol
Flash Point: 323.5±31.5 °C
Index of Refraction: 1.676
Molar Refractivity: 87.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.69
ACD/LogD (pH 5.5): 1.71
ACD/BCF (pH 5.5): 11.79
ACD/KOC (pH 5.5): 203.52
ACD/LogD (pH 7.4): 1.71
ACD/BCF (pH 7.4): 11.79
ACD/KOC (pH 7.4): 203.52
Polar Surface Area: 94 Å2
Polarizability: 34.8±0.5 10-24cm3
Surface Tension: 72.7±5.0 dyne/cm
Molar Volume: 233.2±5.0 cm3

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