ChemSpider 2D Image | 2-Methyl-2-propanyl (1S,4S,7S)-4-({[(dimethyl-lambda~3~-chloranyl)carbonyl]oxy}sulfanyl)-7-(3-oxopropyl)-2-azabicyclo[2.2.1]hept-5-ene-2-carboxylate | C17H26ClNO5S

2-Methyl-2-propanyl (1S,4S,7S)-4-({[(dimethyl-λ3-chloranyl)carbonyl]oxy}sulfanyl)-7-(3-oxopropyl)-2-azabicyclo[2.2.1]hept-5-ene-2-carboxylate

  • Molecular FormulaC17H26ClNO5S
  • Average mass391.910 Da
  • Monoisotopic mass391.122009 Da
  • ChemSpider ID30781788

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S,4S,7S)-4-({[(Diméthyl-λ3-chloranyl)carbonyl]oxy}sulfanyl)-7-(3-oxopropyl)-2-azabicyclo[2.2.1]hept-5-ène-2-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl (1S,4S,7S)-4-({[(dimethyl-λ3-chloranyl)carbonyl]oxy}sulfanyl)-7-(3-oxopropyl)-2-azabicyclo[2.2.1]hept-5-ene-2-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(1S,4S,7S)-4-({[(dimethyl-λ3-chloranyl)carbonyl]oxy}sulfanyl)-7-(3-oxopropyl)-2-azabicyclo[2.2.1]hept-5-en-2-carboxylat [German] [ACD/IUPAC Name]
Chlorine, [[[[(1S,4S,7S)-2-[(1,1-dimethylethoxy)carbonyl]-7-(3-oxopropyl)-2-azabicyclo[2.2.1]hept-5-en-4-yl]thio]oxy]carbonyl]dimethyl- [ACD/Index 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: 0
#Freely Rotating Bonds: 9
#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: 98 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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