ChemSpider 2D Image | (1aR,1a'S,2R,3'R,4aS,4a'S,7aS,7a'S)-2-Hydroxy-4a,4a'-dimethyldecahydro-2,3'-biindeno[3a,4-b]oxirene-4',5,7'(1aH,4a'H,7a'H)-trione | C20H24O6

(1aR,1a'S,2R,3'R,4aS,4a'S,7aS,7a'S)-2-Hydroxy-4a,4a'-dimethyldecahydro-2,3'-biindeno[3a,4-b]oxirene-4',5,7'(1aH,4a'H,7a'H)-trione

  • Molecular FormulaC20H24O6
  • Average mass360.401 Da
  • Monoisotopic mass360.157288 Da
  • ChemSpider ID21174170

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1aR,1a'S,2R,3'R,4aS,4a'S,7aS,7a'S)-2-Hydroxy-4a,4a'-dimethyldecahydro-2,3'-biindeno[3a,4-b]oxiren-4',5,7'(1aH,4a'H,7a'H)-trion [German] [ACD/IUPAC Name]
(1aR,1a'S,2R,3'R,4aS,4a'S,7aS,7a'S)-2-Hydroxy-4a,4a'-dimethyldecahydro-2,3'-biindeno[3a,4-b]oxirene-4',5,7'(1aH,4a'H,7a'H)-trione [ACD/IUPAC Name]
(1aR,1a'S,2R,3'R,4aS,4a'S,7aS,7a'S)-2-Hydroxy-4a,4a'-diméthyldécahydro-2,3'-biindéno[3a,4-b]oxirène-4',5,7'(1aH,4a'H,7a'H)-trione [French] [ACD/IUPAC Name]
[2,3'-Biindeno[3a,4-b]oxirene]-4',5,7'(1aH,4a'H,7a'H)-trione, decahydro-2-hydroxy-4a,4'a-dimethyl-, (1aR,1a'S,2R,3'R,4aS,4a'S,7aS,7a'S)- [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: 575.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 99.0±6.0 kJ/mol
Flash Point: 209.0±23.6 °C
Index of Refraction: 1.623
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: -0.72
ACD/LogD (pH 5.5): -0.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 12.32
ACD/LogD (pH 7.4): -0.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 12.32
Polar Surface Area: 97 Å2
Polarizability: 34.8±0.5 10-24cm3
Surface Tension: 63.5±5.0 dyne/cm
Molar Volume: 249.0±5.0 cm3

Click to predict properties on the Chemicalize site


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