ChemSpider 2D Image | N-[(1S,2S,4aS,7S,8S,8aS)-8-Hydroxy-7-{(2S)-1-[(2R)-2-(methoxymethyl)-1-pyrrolidinyl]-1-oxo-2-propanyl}-1,4a-dimethyldecahydro-2-naphthalenyl]acetamide | C23H40N2O4

N-[(1S,2S,4aS,7S,8S,8aS)-8-Hydroxy-7-{(2S)-1-[(2R)-2-(methoxymethyl)-1-pyrrolidinyl]-1-oxo-2-propanyl}-1,4a-dimethyldecahydro-2-naphthalenyl]acetamide

  • Molecular FormulaC23H40N2O4
  • Average mass408.575 Da
  • Monoisotopic mass408.298798 Da
  • ChemSpider ID29857162

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

Acetamide, N-[(1S,2S,4aS,7S,8S,8aS)-decahydro-8-hydroxy-7-[(1S)-2-[(2R)-2-(methoxymethyl)-1-pyrrolidinyl]-1-methyl-2-oxoethyl]-1,4a-dimethyl-2-naphthalenyl]- [ACD/Index Name]
N-[(1S,2S,4aS,7S,8S,8aS)-8-Hydroxy-7-{(2S)-1-[(2R)-2-(méthoxyméthyl)-1-pyrrolidinyl]-1-oxo-2-propanyl}-1,4a-diméthyldécahydro-2-naphtalényl]acétamide [French] [ACD/IUPAC Name]
N-[(1S,2S,4aS,7S,8S,8aS)-8-Hydroxy-7-{(2S)-1-[(2R)-2-(methoxymethyl)-1-pyrrolidinyl]-1-oxo-2-propanyl}-1,4a-dimethyldecahydro-2-naphthalenyl]acetamide [ACD/IUPAC Name]
N-[(1S,2S,4aS,7S,8S,8aS)-8-Hydroxy-7-{(2S)-1-[(2R)-2-(methoxymethyl)-1-pyrrolidinyl]-1-oxo-2-propanyl}-1,4a-dimethyldecahydro-2-naphthalinyl]acetamid [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 595.1±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.8±6.0 kJ/mol
Flash Point: 313.7±23.2 °C
Index of Refraction: 1.532
Molar Refractivity: 113.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.27
ACD/LogD (pH 5.5): 2.06
ACD/BCF (pH 5.5): 21.47
ACD/KOC (pH 5.5): 312.60
ACD/LogD (pH 7.4): 2.06
ACD/BCF (pH 7.4): 21.47
ACD/KOC (pH 7.4): 312.60
Polar Surface Area: 79 Å2
Polarizability: 44.9±0.5 10-24cm3
Surface Tension: 45.1±5.0 dyne/cm
Molar Volume: 365.6±5.0 cm3

Click to predict properties on the Chemicalize site


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