ChemSpider 2D Image | (4aR,6aS,6bR,8aR,9S,10R,12aR,12bR,14aR,14bR)-10-Hydroxy-2,2,6a,8a,9,12b,14a-heptamethylicosahydro-4a(2H)-picenecarboxylic acid | C30H50O3

(4aR,6aS,6bR,8aR,9S,10R,12aR,12bR,14aR,14bR)-10-Hydroxy-2,2,6a,8a,9,12b,14a-heptamethylicosahydro-4a(2H)-picenecarboxylic acid

  • Molecular FormulaC30H50O3
  • Average mass458.716 Da
  • Monoisotopic mass458.376007 Da
  • ChemSpider ID21194517

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(4aR,6aS,6bR,8aR,9S,10R,12aR,12bR,14aR,14bR)-10-Hydroxy-2,2,6a,8a,9,12b,14a-heptamethylicosahydro-4a(2H)-picencarbonsäure [German] [ACD/IUPAC Name]
(4aR,6aS,6bR,8aR,9S,10R,12aR,12bR,14aR,14bR)-10-Hydroxy-2,2,6a,8a,9,12b,14a-heptamethylicosahydro-4a(2H)-picenecarboxylic acid [ACD/IUPAC Name]
4a(2H)-Picenecarboxylic acid, eicosahydro-10-hydroxy-2,2,6a,8a,9,12b,14a-heptamethyl-, (4aR,6aS,6bR,8aR,9S,10R,12aR,12bR,14aR,14bR)- [ACD/Index Name]
Acide (4aR,6aS,6bR,8aR,9S,10R,12aR,12bR,14aR,14bR)-10-hydroxy-2,2,6a,8a,9,12b,14a-heptaméthylicosahydro-4a(2H)-picènecarboxylique [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 543.5±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.5±6.0 kJ/mol
Flash Point: 296.5±19.1 °C
Index of Refraction: 1.526
Molar Refractivity: 133.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 9.34
ACD/LogD (pH 5.5): 7.72
ACD/BCF (pH 5.5): 270120.28
ACD/KOC (pH 5.5): 152821.03
ACD/LogD (pH 7.4): 5.92
ACD/BCF (pH 7.4): 4277.54
ACD/KOC (pH 7.4): 2420.02
Polar Surface Area: 58 Å2
Polarizability: 53.0±0.5 10-24cm3
Surface Tension: 39.3±3.0 dyne/cm
Molar Volume: 435.7±3.0 cm3

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