ChemSpider 2D Image | N-{[(2R,3aR,4S,8aR)-4-Hydroxy-1-{[4-hydroxy-1-(4-methoxyphenyl)-4-piperidinyl]methyl}-3a,4-dimethyldecahydrocyclohepta[b]pyrrol-2-yl]methyl}acetamide | C27H43N3O4

N-{[(2R,3aR,4S,8aR)-4-Hydroxy-1-{[4-hydroxy-1-(4-methoxyphenyl)-4-piperidinyl]methyl}-3a,4-dimethyldecahydrocyclohepta[b]pyrrol-2-yl]methyl}acetamide

  • Molecular FormulaC27H43N3O4
  • Average mass473.648 Da
  • Monoisotopic mass473.325348 Da
  • ChemSpider ID68726942

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

Acetamide, N-[[(2R,3aR,4S,8aR)-decahydro-4-hydroxy-1-[[4-hydroxy-1-(4-methoxyphenyl)-4-piperidinyl]methyl]-3a,4-dimethylcyclohepta[b]pyrrol-2-yl]methyl]- [ACD/Index Name]
N-{[(2R,3aR,4S,8aR)-4-Hydroxy-1-{[4-hydroxy-1-(4-methoxyphenyl)-4-piperidinyl]methyl}-3a,4-dimethyldecahydrocyclohepta[b]pyrrol-2-yl]methyl}acetamid [German] [ACD/IUPAC Name]
N-{[(2R,3aR,4S,8aR)-4-Hydroxy-1-{[4-hydroxy-1-(4-methoxyphenyl)-4-piperidinyl]methyl}-3a,4-dimethyldecahydrocyclohepta[b]pyrrol-2-yl]methyl}acetamide [ACD/IUPAC Name]
N-{[(2R,3aR,4S,8aR)-4-Hydroxy-1-{[4-hydroxy-1-(4-méthoxyphényl)-4-pipéridinyl]méthyl}-3a,4-diméthyldécahydrocyclohepta[b]pyrrol-2-yl]méthyl}acétamide [French] [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: 674.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.0±3.0 kJ/mol
Flash Point: 361.4±31.5 °C
Index of Refraction: 1.557
Molar Refractivity: 133.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.07
ACD/LogD (pH 5.5): -1.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.63
Polar Surface Area: 85 Å2
Polarizability: 52.9±0.5 10-24cm3
Surface Tension: 46.1±3.0 dyne/cm
Molar Volume: 414.4±3.0 cm3

Click to predict properties on the Chemicalize site


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