ChemSpider 2D Image | (3R)-3-[(5R,8R,9S,10S,13R,14S,17R)-10,13-Dimethyl-3-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]butanoic acid | C23H36O3

(3R)-3-[(5R,8R,9S,10S,13R,14S,17R)-10,13-Dimethyl-3-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]butanoic acid

  • Molecular FormulaC23H36O3
  • Average mass360.530 Da
  • Monoisotopic mass360.266449 Da
  • ChemSpider ID21197154

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3R)-3-[(5R,8R,9S,10S,13R,14S,17R)-10,13-Dimethyl-3-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]butanoic acid [ACD/IUPAC Name]
(3R)-3-[(5R,8R,9S,10S,13R,14S,17R)-10,13-Dimethyl-3-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]butansäure [German] [ACD/IUPAC Name]
Acide (3R)-3-[(5R,8R,9S,10S,13R,14S,17R)-10,13-diméthyl-3-oxohexadécahydro-1H-cyclopenta[a]phénanthrén-17-yl]butanoïque [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: 497.8±18.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 83.8±6.0 kJ/mol
Flash Point: 269.0±17.7 °C
Index of Refraction: 1.523
Molar Refractivity: 102.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.59
ACD/LogD (pH 5.5): 3.95
ACD/BCF (pH 5.5): 371.35
ACD/KOC (pH 5.5): 1374.91
ACD/LogD (pH 7.4): 2.15
ACD/BCF (pH 7.4): 5.89
ACD/KOC (pH 7.4): 21.80
Polar Surface Area: 54 Å2
Polarizability: 40.4±0.5 10-24cm3
Surface Tension: 40.3±3.0 dyne/cm
Molar Volume: 333.9±3.0 cm3

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