ChemSpider 2D Image | 17α(H),21β(H)-(22R)-HOMOHOPANE | C31H54

17α(H),21β(H)-(22R)-HOMOHOPANE

  • Molecular FormulaC31H54
  • Average mass426.760 Da
  • Monoisotopic mass426.422546 Da
  • ChemSpider ID32815251

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(3R,3aR,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-3-[(2R)-2-Butanyl]-5a,5b,8,8,11a,13b-hexamethylicosahydro-1H-cyclopenta[a]chrysen [German] [ACD/IUPAC Name]
(3R,3aR,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-3-[(2R)-2-Butanyl]-5a,5b,8,8,11a,13b-hexamethylicosahydro-1H-cyclopenta[a]chrysene [ACD/IUPAC Name]
(3R,3aR,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-3-[(2R)-2-Butanyl]-5a,5b,8,8,11a,13b-hexaméthylicosahydro-1H-cyclopenta[a]chrysène [French] [ACD/IUPAC Name]
17α(H),21β(H)-(22R)-HOMOHOPANE
1H-Cyclopenta[a]chrysene, eicosahydro-5a,5b,8,8,11a,13b-hexamethyl-3-[(1R)-1-methylpropyl]-, (3R,3aR,5aR,5bR,7aS,11aS,11bR,13aR,13bS)- [ACD/Index Name]
60305-22-8 [RN]
17α(H),21β(H)-(22R)-HOMOHOPANE

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

Density: 0.9±0.1 g/cm3
Boiling Point: 470.5±12.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 70.5±0.8 kJ/mol
Flash Point: 229.3±13.1 °C
Index of Refraction: 1.497
Molar Refractivity: 135.3±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 13.86
ACD/LogD (pH 5.5): 12.38
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.38
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 0 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 31.2±3.0 dyne/cm
Molar Volume: 462.6±3.0 cm3

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