ChemSpider 2D Image | pyrodysinoic acid | C17H23NO3

pyrodysinoic acid

  • Molecular FormulaC17H23NO3
  • Average mass289.369 Da
  • Monoisotopic mass289.167786 Da
  • ChemSpider ID27025961

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

Featured data source
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[(4aS,8aR,9aS)-6,9,9-Trimethyl-2-oxo-2,4,4a,7,8,8a,9,9a-octahydro-1H-benzo[f]indol-1-yl]acetic acid [ACD/IUPAC Name]
[(4aS,8aR,9aS)-6,9,9-Trimethyl-2-oxo-2,4,4a,7,8,8a,9,9a-octahydro-1H-benzo[f]indol-1-yl]essigsäure [German] [ACD/IUPAC Name]
1H-Benz[f]indole-1-acetic acid, 2,4,4a,7,8,8a,9,9a-octahydro-6,9,9-trimethyl-2-oxo-, (4aS,8aR,9aS)- [ACD/Index Name]
Acide [(4aS,8aR,9aS)-6,9,9-triméthyl-2-oxo-2,4,4a,7,8,8a,9,9a-octahydro-1H-benzo[f]indol-1-yl]acétique [French] [ACD/IUPAC Name]
pyrodysinoic acid

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

Density: 1.2±0.1 g/cm3
Boiling Point: 506.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 85.0±6.0 kJ/mol
Flash Point: 260.3±30.1 °C
Index of Refraction: 1.581
Molar Refractivity: 79.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.26
ACD/LogD (pH 5.5): 1.15
ACD/BCF (pH 5.5): 1.35
ACD/KOC (pH 5.5): 10.67
ACD/LogD (pH 7.4): -0.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 58 Å2
Polarizability: 31.5±0.5 10-24cm3
Surface Tension: 49.7±5.0 dyne/cm
Molar Volume: 238.8±5.0 cm3

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