ChemSpider 2D Image | (3S,3aR,4S,6aS,7Z,13Z,15aS)-12-Hydroxy-3-isobutyl-4,5,8-trimethyl-3,3a,4,6a,9,10,11,12-octahydro-1H-cycloundeca[d]isoindole-1,15(2H)-dione | C24H35NO3

(3S,3aR,4S,6aS,7Z,13Z,15aS)-12-Hydroxy-3-isobutyl-4,5,8-trimethyl-3,3a,4,6a,9,10,11,12-octahydro-1H-cycloundeca[d]isoindole-1,15(2H)-dione

  • Molecular FormulaC24H35NO3
  • Average mass385.540 Da
  • Monoisotopic mass385.261688 Da
  • ChemSpider ID58131208

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(3S,3aR,4S,6aS,7Z,13Z,15aS)-12-Hydroxy-3-isobutyl-4,5,8-trimethyl-3,3a,4,6a,9,10,11,12-octahydro-1H-cycloundeca[d]isoindol-1,15(2H)-dion [German] [ACD/IUPAC Name]
(3S,3aR,4S,6aS,7Z,13Z,15aS)-12-Hydroxy-3-isobutyl-4,5,8-trimethyl-3,3a,4,6a,9,10,11,12-octahydro-1H-cycloundeca[d]isoindole-1,15(2H)-dione [ACD/IUPAC Name]
(3S,3aR,4S,6aS,7Z,13Z,15aS)-12-Hydroxy-3-isobutyl-4,5,8-triméthyl-3,3a,4,6a,9,10,11,12-octahydro-1H-cycloundéca[d]isoindole-1,15(2H)-dione [French] [ACD/IUPAC Name]
1H-Cycloundec[d]isoindole-1,15(2H)-dione, 3,3a,4,6a,9,10,11,12-octahydro-12-hydroxy-4,5,8-trimethyl-3-(2-methylpropyl)-, (3S,3aR,4S,6aS,7Z,13Z,15aS)- [ACD/Index Name]
TMC-169

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

Density: 1.1±0.1 g/cm3
Boiling Point: 587.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.6±6.0 kJ/mol
Flash Point: 308.9±30.1 °C
Index of Refraction: 1.554
Molar Refractivity: 111.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.01
ACD/LogD (pH 5.5): 3.88
ACD/BCF (pH 5.5): 523.27
ACD/KOC (pH 5.5): 3073.72
ACD/LogD (pH 7.4): 3.88
ACD/BCF (pH 7.4): 523.27
ACD/KOC (pH 7.4): 3073.72
Polar Surface Area: 66 Å2
Polarizability: 44.2±0.5 10-24cm3
Surface Tension: 44.1±5.0 dyne/cm
Molar Volume: 348.4±5.0 cm3

Click to predict properties on the Chemicalize site


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