ChemSpider 2D Image | (3S,3aR,6aS)-Hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-([(4-aminophenyl)sulfonyl]{6-[(ethoxycarbonyl)amino]-2,2-dimethylhexyl}amino)-3-hydroxy-1-phenyl-2-butanyl]carbamate | C34H50N4O9S

(3S,3aR,6aS)-Hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-([(4-aminophenyl)sulfonyl]{6-[(ethoxycarbonyl)amino]-2,2-dimethylhexyl}amino)-3-hydroxy-1-phenyl-2-butanyl]carbamate

  • Molecular FormulaC34H50N4O9S
  • Average mass690.847 Da
  • Monoisotopic mass690.329834 Da
  • ChemSpider ID421594

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(3S,3aR,6aS)-Hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-([(4-aminophenyl)sulfonyl]{6-[(ethoxycarbonyl)amino]-2,2-dimethylhexyl}amino)-3-hydroxy-1-phenyl-2-butanyl]carbamate [ACD/IUPAC Name]
(3S,3aR,6aS)-Hexahydrofuro[2,3-b]furan-3-yl-[(2S,3R)-4-([(4-aminophenyl)sulfonyl]{6-[(ethoxycarbonyl)amino]-2,2-dimethylhexyl}amino)-3-hydroxy-1-phenyl-2-butanyl]carbamat [German] [ACD/IUPAC Name]
[(2S,3R)-4-([(4-Aminophényl)sulfonyl]{6-[(éthoxycarbonyl)amino]-2,2-diméthylhexyl}amino)-3-hydroxy-1-phényl-2-butanyl]carbamate de (3S,3aR,6aS)-hexahydrofuro[2,3-b]furan-3-yle [French] [ACD/IUPAC Name]
Carbamic acid, N-[(1S,2R)-3-[[(4-aminophenyl)sulfonyl][6-[(ethoxycarbonyl)amino]-2,2-dimethylhexyl]amino]-2-hydroxy-1-(phenylmethyl)propyl]-, (3S,3aR,6aS)-hexahydrofuro[2,3-b]furan-3-yl ester [ACD/Index Name]
((2S)-4,6-Dioxabicyclo[3.3.0]oct-2-yloxy)-N-((1S,2R)-3-{[(4-aminophenyl)sulfonyl] [6-(ethoxycarbonylamino)-2,2-dimethylhexyl]amino}-2-hydroxy-1-benzylpropyl) carboxamide

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

AIDS095614 [DBID]
AIDS-095614 [DBID]

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: 1.600
Molar Refractivity: 181.5±0.4 cm3
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 4
ACD/LogP: 5.01
ACD/LogD (pH 5.5): 4.40
ACD/BCF (pH 5.5): 1291.31
ACD/KOC (pH 5.5): 5867.48
ACD/LogD (pH 7.4): 4.40
ACD/BCF (pH 7.4): 1291.38
ACD/KOC (pH 7.4): 5867.78
Polar Surface Area: 187 Å2
Polarizability: 72.0±0.5 10-24cm3
Surface Tension: 61.5±5.0 dyne/cm
Molar Volume: 530.5±5.0 cm3

Click to predict properties on the Chemicalize site


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