ChemSpider 2D Image | N-{1-[(1S,3S,3aR,6S,6aS,9aS,9bS)-6a-Isocyano-3,6-dimethyl-9-methylenedodecahydro-1H-phenalen-1-yl]-2-methyl-2-propanyl}-2-[(3S)-3-methoxy-2-oxo-1-azetidinyl]acetamide | C27H41N3O3

N-{1-[(1S,3S,3aR,6S,6aS,9aS,9bS)-6a-Isocyano-3,6-dimethyl-9-methylenedodecahydro-1H-phenalen-1-yl]-2-methyl-2-propanyl}-2-[(3S)-3-methoxy-2-oxo-1-azetidinyl]acetamide

  • Molecular FormulaC27H41N3O3
  • Average mass455.633 Da
  • Monoisotopic mass455.314789 Da
  • ChemSpider ID35516778

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

1-Azetidineacetamide, N-[2-[(1S,3S,3aR,6S,6aS,9aS,9bS)-dodecahydro-6a-isocyano-3,6-dimethyl-9-methylene-1H-phenalen-1-yl]-1,1-dimethylethyl]-3-methoxy-2-oxo-, (3S)- [ACD/Index Name]
N-{1-[(1S,3S,3aR,6S,6aS,9aS,9bS)-6a-Isocyano-3,6-dimethyl-9-methylendodecahydro-1H-phenalen-1-yl]-2-methyl-2-propanyl}-2-[(3S)-3-methoxy-2-oxo-1-azetidinyl]acetamid [German] [ACD/IUPAC Name]
N-{1-[(1S,3S,3aR,6S,6aS,9aS,9bS)-6a-Isocyano-3,6-dimethyl-9-methylenedodecahydro-1H-phenalen-1-yl]-2-methyl-2-propanyl}-2-[(3S)-3-methoxy-2-oxo-1-azetidinyl]acetamide [ACD/IUPAC Name]
N-{1-[(1S,3S,3aR,6S,6aS,9aS,9bS)-6a-Isocyano-3,6-diméthyl-9-méthylènedodécahydro-1H-phénalén-1-yl]-2-méthyl-2-propanyl}-2-[(3S)-3-méthoxy-2-oxo-1-azétidinyl]acétamide [French] [ACD/IUPAC Name]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 63 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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