ChemSpider 2D Image | [(2S)-5-Oxo-2-pyrrolidinyl]methyl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](pentyl)amino}-1-phenyl-2-butanyl]carbamate | C28H39N3O7S

[(2S)-5-Oxo-2-pyrrolidinyl]methyl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](pentyl)amino}-1-phenyl-2-butanyl]carbamate

  • Molecular FormulaC28H39N3O7S
  • Average mass561.690 Da
  • Monoisotopic mass561.250854 Da
  • ChemSpider ID28640497

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

[(2S)-5-Oxo-2-pyrrolidinyl]methyl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](pentyl)amino}-1-phenyl-2-butanyl]carbamate [ACD/IUPAC Name]
[(2S)-5-Oxo-2-pyrrolidinyl]methyl-[(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](pentyl)amino}-1-phenyl-2-butanyl]carbamat [German] [ACD/IUPAC Name]
[(2S,3R)-3-Hydroxy-4-{[(4-méthoxyphényl)sulfonyl](pentyl)amino}-1-phényl-2-butanyl]carbamate de [(2S)-5-oxo-2-pyrrolidinyl]méthyle [French] [ACD/IUPAC Name]
Carbamic acid, N-[(1S,2R)-2-hydroxy-3-[[(4-methoxyphenyl)sulfonyl]pentylamino]-1-(phenylmethyl)propyl]-, [(2S)-5-oxo-2-pyrrolidinyl]methyl ester [ACD/Index 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.566
Molar Refractivity: 148.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 4.57
ACD/LogD (pH 5.5): 4.33
ACD/BCF (pH 5.5): 1142.54
ACD/KOC (pH 5.5): 5375.54
ACD/LogD (pH 7.4): 4.33
ACD/BCF (pH 7.4): 1142.44
ACD/KOC (pH 7.4): 5375.07
Polar Surface Area: 143 Å2
Polarizability: 58.9±0.5 10-24cm3
Surface Tension: 49.8±3.0 dyne/cm
Molar Volume: 456.1±3.0 cm3

Click to predict properties on the Chemicalize site


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