ChemSpider 2D Image | Methyl (8beta,11beta,12alpha,15Z)-12,16-dimethyl-11-[(2R)-6-methyl-2-heptanyl]-19-oxo-2,7:4,20-dicycloprosta-2(7),3,5,15-tetraen-1-oate | C31H46O3

Methyl (8β,11β,12α,15Z)-12,16-dimethyl-11-[(2R)-6-methyl-2-heptanyl]-19-oxo-2,7:4,20-dicycloprosta-2(7),3,5,15-tetraen-1-oate

  • Molecular FormulaC31H46O3
  • Average mass466.695 Da
  • Monoisotopic mass466.344696 Da
  • ChemSpider ID23141008

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(8β,11β,12α,15Z)-12,16-Diméthyl-11-[(2R)-6-méthyl-2-heptanyl]-19-oxo-2,7:4,20-dicycloprosta-2(7),3,5,15-tétraén-1-oate de méthyle [French] [ACD/IUPAC Name]
4,7-Etheno-1H-cyclopentacyclotetradecene-5-carboxylic acid, 1-[(1R)-1,5-dimethylhexyl]-2,3,3a,8,9,10,11,14,15,15a-decahydro-12,15a-dimethyl-9-oxo-, methyl ester, (1R,3aR,12Z,15aR)- [ACD/Index Name]
Methyl (8β,11β,12α,15Z)-12,16-dimethyl-11-[(2R)-6-methyl-2-heptanyl]-19-oxo-2,7:4,20-dicycloprosta-2(7),3,5,15-tetraen-1-oate [ACD/IUPAC Name]
Methyl-(8β,11β,12α,15Z)-12,16-dimethyl-11-[(2R)-6-methyl-2-heptanyl]-19-oxo-2,7:4,20-dicycloprosta-2(7),3,5,15-tetraen-1-oat [German] [ACD/IUPAC Name]
(Z)-(2R,5R,6R)-5-((R)-1,5-Dimethyl-hexyl)-6,10-dimethyl-13-oxo-tricyclo[13.2.2.0*2,6*]nonadeca-1(17),9,15,18-tetraene-17-carboxylic acid methyl ester
CHEMBL45409

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

Density: 1.0±0.1 g/cm3
Boiling Point: 574.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.0±3.0 kJ/mol
Flash Point: 239.7±30.2 °C
Index of Refraction: 1.506
Molar Refractivity: 140.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 10.44
ACD/LogD (pH 5.5): 9.27
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2647269.50
ACD/LogD (pH 7.4): 9.27
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2647269.50
Polar Surface Area: 43 Å2
Polarizability: 55.7±0.5 10-24cm3
Surface Tension: 34.6±3.0 dyne/cm
Molar Volume: 472.4±3.0 cm3

Click to predict properties on the Chemicalize site


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