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

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

  • Molecular FormulaC34H50N4O9S
  • Average mass690.847 Da
  • Monoisotopic mass690.329834 Da
  • ChemSpider ID421491

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-({6-[(methoxycarbonyl)amino]-2,2-dimethylhexyl}{[3-(methylamino)phenyl]sulfonyl}amino)-1-phenyl-2-butanyl]carbamate [ACD/IUPAC Name]
(3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl-[(2S,3R)-3-hydroxy-4-({6-[(methoxycarbonyl)amino]-2,2-dimethylhexyl}{[3-(methylamino)phenyl]sulfonyl}amino)-1-phenyl-2-butanyl]carbamat [German] [ACD/IUPAC Name]
[(2S,3R)-3-Hydroxy-4-({6-[(méthoxycarbonyl)amino]-2,2-diméthylhexyl}{[3-(méthylamino)phényl]sulfonyl}amino)-1-phényl-2-butanyl]carbamate de (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yle [French] [ACD/IUPAC Name]
Carbamic acid, N-[(1S,2R)-2-hydroxy-3-[[6-[(methoxycarbonyl)amino]-2,2-dimethylhexyl][[3-(methylamino)phenyl]sulfonyl]amino]-1-(phenylmethyl)propyl]-, (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl ester [ACD/Index Name]
(3R,3aS,6aR)-Hexahydrofuro [2,3-b] furan-3-yl N-[(1S,2R)-1-benzyl-2-hydroxy-3-(6-[(methoxycarbonyl) amino]-2,2-dimethylhexyl [3-(methylamino) phenyl]sulfonylamino) propyl] carbamate

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

AIDS095506 [DBID]
AIDS-095506 [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: 1.595
Molar Refractivity: 181.5±0.4 cm3
#H bond acceptors: 13
#H bond donors: 4
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 2
ACD/LogP: 4.30
ACD/LogD (pH 5.5): 4.09
ACD/BCF (pH 5.5): 751.77
ACD/KOC (pH 5.5): 3945.94
ACD/LogD (pH 7.4): 4.11
ACD/BCF (pH 7.4): 777.06
ACD/KOC (pH 7.4): 4078.67
Polar Surface Area: 173 Å2
Polarizability: 72.0±0.5 10-24cm3
Surface Tension: 59.4±5.0 dyne/cm
Molar Volume: 534.5±5.0 cm3

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