ChemSpider 2D Image | dysidealactam D | C17H25NO4

dysidealactam D

  • Molecular FormulaC17H25NO4
  • Average mass307.385 Da
  • Monoisotopic mass307.178345 Da
  • ChemSpider ID83287000

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

[(1S,5aS,9aS)-1-Hydroxy-6,6,9a-trimethyl-3-oxo-1,3,4,5,5a,6,7,8,9,9a-decahydro-2H-benzo[e]isoindol-2-yl]acetic acid [ACD/IUPAC Name]
[(1S,5aS,9aS)-1-Hydroxy-6,6,9a-trimethyl-3-oxo-1,3,4,5,5a,6,7,8,9,9a-decahydro-2H-benzo[e]isoindol-2-yl]essigsäure [German] [ACD/IUPAC Name]
2H-Benz[e]isoindole-2-acetic acid, 1,3,4,5,5a,6,7,8,9,9a-decahydro-1-hydroxy-6,6,9a-trimethyl-3-oxo-, (1S,5aS,9aS)- [ACD/Index Name]
Acide [(1S,5aS,9aS)-1-hydroxy-6,6,9a-triméthyl-3-oxo-1,3,4,5,5a,6,7,8,9,9a-décahydro-2H-benzo[e]isoindol-2-yl]acétique [French] [ACD/IUPAC Name]
dysidealactam D

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

Density: 1.3±0.1 g/cm3
Boiling Point: 540.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.0±6.0 kJ/mol
Flash Point: 280.4±30.1 °C
Index of Refraction: 1.584
Molar Refractivity: 81.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.57
ACD/LogD (pH 5.5): 0.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.53
ACD/LogD (pH 7.4): -0.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 78 Å2
Polarizability: 32.2±0.5 10-24cm3
Surface Tension: 55.4±5.0 dyne/cm
Molar Volume: 242.6±5.0 cm3

Click to predict properties on the Chemicalize site


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