ChemSpider 2D Image | 1,3-Dioxan-5-yl [(2S)-4-{(cyclopentylmethyl)[(4-methoxyphenyl)sulfonyl]amino}-3-hydroxy-1-phenyl-2-butanyl]carbamate | C28H38N2O8S

1,3-Dioxan-5-yl [(2S)-4-{(cyclopentylmethyl)[(4-methoxyphenyl)sulfonyl]amino}-3-hydroxy-1-phenyl-2-butanyl]carbamate

  • Molecular FormulaC28H38N2O8S
  • Average mass562.675 Da
  • Monoisotopic mass562.234863 Da
  • ChemSpider ID8091524

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

[(2S)-4-{(Cyclopentylméthyl)[(4-méthoxyphényl)sulfonyl]amino}-3-hydroxy-1-phényl-2-butanyl]carbamate de 1,3-dioxan-5-yle [French] [ACD/IUPAC Name]
1,3-Dioxan-5-yl [(2S)-4-{(cyclopentylmethyl)[(4-methoxyphenyl)sulfonyl]amino}-3-hydroxy-1-phenyl-2-butanyl]carbamate [ACD/IUPAC Name]
1,3-Dioxan-5-yl-[(2S)-4-{(cyclopentylmethyl)[(4-methoxyphenyl)sulfonyl]amino}-3-hydroxy-1-phenyl-2-butanyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1S)-3-[(cyclopentylmethyl)[(4-methoxyphenyl)sulfonyl]amino]-2-hydroxy-1-(phenylmethyl)propyl]-, 1,3-dioxan-5-yl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.604
Molar Refractivity: 146.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 5.76
ACD/LogD (pH 5.5): 4.38
ACD/BCF (pH 5.5): 1256.85
ACD/KOC (pH 5.5): 5755.28
ACD/LogD (pH 7.4): 4.38
ACD/BCF (pH 7.4): 1256.64
ACD/KOC (pH 7.4): 5754.32
Polar Surface Area: 132 Å2
Polarizability: 58.0±0.5 10-24cm3
Surface Tension: 60.5±5.0 dyne/cm
Molar Volume: 425.8±5.0 cm3

Click to predict properties on the Chemicalize site


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