ChemSpider 2D Image | (1S,2S,3S,11bR)-1,3-Dihydroxy-2-methoxy-11b-methyl-1,2,3,7,8,11b-hexahydrocyclopenta[7,8]phenanthro[10,1-bc]furan-6,9-dione | C20H18O6

(1S,2S,3S,11bR)-1,3-Dihydroxy-2-methoxy-11b-methyl-1,2,3,7,8,11b-hexahydrocyclopenta[7,8]phenanthro[10,1-bc]furan-6,9-dione

  • Molecular FormulaC20H18O6
  • Average mass354.353 Da
  • Monoisotopic mass354.110352 Da
  • ChemSpider ID62388959

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1S,2S,3S,11bR)-1,3-Dihydroxy-2-methoxy-11b-methyl-1,2,3,7,8,11b-hexahydrocyclopenta[7,8]phenanthro[10,1-bc]furan-6,9-dion [German] [ACD/IUPAC Name]
(1S,2S,3S,11bR)-1,3-Dihydroxy-2-methoxy-11b-methyl-1,2,3,7,8,11b-hexahydrocyclopenta[7,8]phenanthro[10,1-bc]furan-6,9-dione [ACD/IUPAC Name]
(1S,2S,3S,11bR)-1,3-Dihydroxy-2-méthoxy-11b-méthyl-1,2,3,7,8,11b-hexahydrocyclopenta[7,8]phénanthro[10,1-bc]furane-6,9-dione [French] [ACD/IUPAC Name]
Cyclopenta[7,8]phenanthro[10,1-bc]furan-6,9-dione, 1,2,3,7,8,11b-hexahydro-1,3-dihydroxy-2-methoxy-11b-methyl-, (1S,2S,3S,11bR)- [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: 504.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.5±3.0 kJ/mol
Flash Point: 259.0±30.1 °C
Index of Refraction: 1.685
Molar Refractivity: 89.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.71
ACD/LogD (pH 5.5): 1.60
ACD/BCF (pH 5.5): 9.76
ACD/KOC (pH 5.5): 177.76
ACD/LogD (pH 7.4): 1.60
ACD/BCF (pH 7.4): 9.76
ACD/KOC (pH 7.4): 177.76
Polar Surface Area: 97 Å2
Polarizability: 35.3±0.5 10-24cm3
Surface Tension: 75.6±5.0 dyne/cm
Molar Volume: 234.3±5.0 cm3

Click to predict properties on the Chemicalize site


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