ChemSpider 2D Image | N-[(1S,2S,8S,8aS)-7-{(2S)-1-[Bis(2-methoxyethyl)amino]-1-oxo-2-propanyl}-8-hydroxy-1,4a-dimethyldecahydro-2-naphthalenyl]isonicotinamide | C27H43N3O5

N-[(1S,2S,8S,8aS)-7-{(2S)-1-[Bis(2-methoxyethyl)amino]-1-oxo-2-propanyl}-8-hydroxy-1,4a-dimethyldecahydro-2-naphthalenyl]isonicotinamide

  • Molecular FormulaC27H43N3O5
  • Average mass489.647 Da
  • Monoisotopic mass489.320282 Da
  • ChemSpider ID22806019

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

4-Pyridinecarboxamide, N-[(1S,2S,8S,8aS)-7-[(1S)-2-[bis(2-methoxyethyl)amino]-1-methyl-2-oxoethyl]decahydro-8-hydroxy-1,4a-dimethyl-2-naphthalenyl]- [ACD/Index Name]
N-[(1S,2S,8S,8aS)-7-{(2S)-1-[Bis(2-méthoxyéthyl)amino]-1-oxo-2-propanyl}-8-hydroxy-1,4a-diméthyldécahydro-2-naphtalényl]isonicotinamide [French] [ACD/IUPAC Name]
N-[(1S,2S,8S,8aS)-7-{(2S)-1-[Bis(2-methoxyethyl)amino]-1-oxo-2-propanyl}-8-hydroxy-1,4a-dimethyldecahydro-2-naphthalenyl]isonicotinamide [ACD/IUPAC Name]
N-[(1S,2S,8S,8aS)-7-{(2S)-1-[Bis(2-methoxyethyl)amino]-1-oxo-2-propanyl}-8-hydroxy-1,4a-dimethyldecahydro-2-naphthalinyl]isonicotinamid [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 672.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.8±3.0 kJ/mol
Flash Point: 360.6±31.5 °C
Index of Refraction: 1.548
Molar Refractivity: 135.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 2.01
ACD/LogD (pH 5.5): 2.32
ACD/BCF (pH 5.5): 33.76
ACD/KOC (pH 5.5): 431.02
ACD/LogD (pH 7.4): 2.32
ACD/BCF (pH 7.4): 34.07
ACD/KOC (pH 7.4): 434.95
Polar Surface Area: 101 Å2
Polarizability: 53.5±0.5 10-24cm3
Surface Tension: 49.7±5.0 dyne/cm
Molar Volume: 425.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement