ChemSpider 2D Image | (3aR)-Tetrahydro-3aH-cyclopenta[d][1,3]dioxol-5-yl [(2S,3R)-3-hydroxy-4-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}-1-phenyl-2-butanyl]carbamate | C28H38N2O8S

(3aR)-Tetrahydro-3aH-cyclopenta[d][1,3]dioxol-5-yl [(2S,3R)-3-hydroxy-4-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}-1-phenyl-2-butanyl]carbamate

  • Molecular FormulaC28H38N2O8S
  • Average mass562.675 Da
  • Monoisotopic mass562.234863 Da
  • ChemSpider ID34952215

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

(3aR)-Tetrahydro-3aH-cyclopenta[d][1,3]dioxol-5-yl [(2S,3R)-3-hydroxy-4-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}-1-phenyl-2-butanyl]carbamate [ACD/IUPAC Name]
(3aR)-Tetrahydro-3aH-cyclopenta[d][1,3]dioxol-5-yl-[(2S,3R)-3-hydroxy-4-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}-1-phenyl-2-butanyl]carbamat [German] [ACD/IUPAC Name]
[(2S,3R)-3-Hydroxy-4-{isobutyl[(4-méthoxyphényl)sulfonyl]amino}-1-phényl-2-butanyl]carbamate de (3aR)-tétrahydro-3aH-cyclopenta[d][1,3]dioxol-5-yle [French] [ACD/IUPAC Name]
Carbamic acid, N-[(1S,2R)-2-hydroxy-3-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-(phenylmethyl)propyl]-, (3aR)-tetrahydro-4H-cyclopenta[d]-1,3-dioxol-5-yl ester [ACD/Index Name]
US8501961, 102

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: 1.601
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: 5.16
ACD/LogD (pH 5.5): 4.15
ACD/BCF (pH 5.5): 838.66
ACD/KOC (pH 5.5): 4308.28
ACD/LogD (pH 7.4): 4.15
ACD/BCF (pH 7.4): 838.58
ACD/KOC (pH 7.4): 4307.85
Polar Surface Area: 132 Å2
Polarizability: 58.0±0.5 10-24cm3
Surface Tension: 59.0±5.0 dyne/cm
Molar Volume: 427.0±5.0 cm3

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