ChemSpider 2D Image | (3aS,5R,6aR)-Hexahydro-2H-cyclopenta[b]furan-5-yl [(2S,3R)-3-hydroxy-4-([(4-methoxyphenyl)sulfonyl]{[(2S)-5-oxo-2-pyrrolidinyl]methyl}amino)-1-phenyl-2-butanyl]carbamate | C30H39N3O8S

(3aS,5R,6aR)-Hexahydro-2H-cyclopenta[b]furan-5-yl [(2S,3R)-3-hydroxy-4-([(4-methoxyphenyl)sulfonyl]{[(2S)-5-oxo-2-pyrrolidinyl]methyl}amino)-1-phenyl-2-butanyl]carbamate

  • Molecular FormulaC30H39N3O8S
  • Average mass601.711 Da
  • Monoisotopic mass601.245789 Da
  • ChemSpider ID24710596

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(3aS,5R,6aR)-Hexahydro-2H-cyclopenta[b]furan-5-yl [(2S,3R)-3-hydroxy-4-([(4-methoxyphenyl)sulfonyl]{[(2S)-5-oxo-2-pyrrolidinyl]methyl}amino)-1-phenyl-2-butanyl]carbamate [ACD/IUPAC Name]
(3aS,5R,6aR)-Hexahydro-2H-cyclopenta[b]furan-5-yl-[(2S,3R)-3-hydroxy-4-([(4-methoxyphenyl)sulfonyl]{[(2S)-5-oxo-2-pyrrolidinyl]methyl}amino)-1-phenyl-2-butanyl]carbamat [German] [ACD/IUPAC Name]
[(2S,3R)-3-Hydroxy-4-([(4-méthoxyphényl)sulfonyl]{[(2S)-5-oxo-2-pyrrolidinyl]méthyl}amino)-1-phényl-2-butanyl]carbamate de (3aS,5R,6aR)-hexahydro-2H-cyclopenta[b]furan-5-yle [French] [ACD/IUPAC Name]
Carbamic acid, N-[(1S,2R)-2-hydroxy-3-[[(4-methoxyphenyl)sulfonyl][[(2S)-5-oxo-2-pyrrolidinyl]methyl]amino]-1-(phenylmethyl)propyl]-, (3aS,5R,6aR)-hexahydro-2H-cyclopenta[b]furan-5-yl ester [ACD/Index Name]
GRL-02031
methyl-2-pyrrolidinone, 17b

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.628
Molar Refractivity: 155.5±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 2.86
ACD/LogD (pH 5.5): 3.02
ACD/BCF (pH 5.5): 115.64
ACD/KOC (pH 5.5): 1043.23
ACD/LogD (pH 7.4): 3.02
ACD/BCF (pH 7.4): 115.63
ACD/KOC (pH 7.4): 1043.15
Polar Surface Area: 152 Å2
Polarizability: 61.7±0.5 10-24cm3
Surface Tension: 65.4±5.0 dyne/cm
Molar Volume: 438.5±5.0 cm3

Click to predict properties on the Chemicalize site


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