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

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

  • Molecular FormulaC28H39N3O7S
  • Average mass561.690 Da
  • Monoisotopic mass561.250854 Da
  • ChemSpider ID28640606

  • defined stereocentres - 4 of 4 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][(2S)-2-methylbutyl]amino}-1-phenyl-2-butanyl]carbamate [ACD/IUPAC Name]
[(2S)-5-Oxo-2-pyrrolidinyl]methyl-[(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino}-1-phenyl-2-butanyl]carbamat [German] [ACD/IUPAC Name]
[(2S,3R)-3-Hydroxy-4-{[(4-méthoxyphényl)sulfonyl][(2S)-2-méthylbutyl]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][(2S)-2-methylbutyl]amino]-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: 1.565
Molar Refractivity: 148.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 4.39
ACD/LogD (pH 5.5): 3.92
ACD/BCF (pH 5.5): 565.14
ACD/KOC (pH 5.5): 3247.85
ACD/LogD (pH 7.4): 3.92
ACD/BCF (pH 7.4): 565.09
ACD/KOC (pH 7.4): 3247.57
Polar Surface Area: 143 Å2
Polarizability: 58.9±0.5 10-24cm3
Surface Tension: 49.3±3.0 dyne/cm
Molar Volume: 456.4±3.0 cm3

Click to predict properties on the Chemicalize site


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