ChemSpider 2D Image | (3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-({5-[(dimethylcarbamoyl)amino]-2,2-dimethylpentyl}[(4-methoxyphenyl)sulfonyl]amino)-3-hydroxy-1-phenyl-2-butanyl]carbamate | C34H50N4O9S

(3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-({5-[(dimethylcarbamoyl)amino]-2,2-dimethylpentyl}[(4-methoxyphenyl)sulfonyl]amino)-3-hydroxy-1-phenyl-2-butanyl]carbamate

  • Molecular FormulaC34H50N4O9S
  • Average mass690.847 Da
  • Monoisotopic mass690.329834 Da
  • ChemSpider ID421476

  • 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)-4-({5-[(dimethylcarbamoyl)amino]-2,2-dimethylpentyl}[(4-methoxyphenyl)sulfonyl]amino)-3-hydroxy-1-phenyl-2-butanyl]carbamate [ACD/IUPAC Name]
(3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl-[(2S,3R)-4-({5-[(dimethylcarbamoyl)amino]-2,2-dimethylpentyl}[(4-methoxyphenyl)sulfonyl]amino)-3-hydroxy-1-phenyl-2-butanyl]carbamat [German] [ACD/IUPAC Name]
[(2S,3R)-4-({5-[(Diméthylcarbamoyl)amino]-2,2-diméthylpentyl}[(4-méthoxyphényl)sulfonyl]amino)-3-hydroxy-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)-3-[[5-[[(dimethylamino)carbonyl]amino]-2,2-dimethylpentyl][(4-methoxyphenyl)sulfonyl]amino]-2-hydroxy-1-(phenylmethyl)propyl]-, (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl es ter [ACD/Index Name]
(3R,3aS,6aR or 3S,3aR,6aS)-Hexahydrofuro [2,3-b] furan-3-yl-N-((1S,2R)-1-benzyl-3-(5-[(dimethylamino) carbonyl] amino-2,2-dimethylpentyl) [(4-methoxyphenyl) sulfonyl] amino-2-hydroxypropyl) carbamate

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

AIDS095491 [DBID]
AIDS-095491 [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: 1.597
Molar Refractivity: 181.8±0.4 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 5.06
ACD/LogD (pH 5.5): 4.37
ACD/BCF (pH 5.5): 1237.50
ACD/KOC (pH 5.5): 5691.72
ACD/LogD (pH 7.4): 4.37
ACD/BCF (pH 7.4): 1237.33
ACD/KOC (pH 7.4): 5690.94
Polar Surface Area: 164 Å2
Polarizability: 72.1±0.5 10-24cm3
Surface Tension: 59.6±5.0 dyne/cm
Molar Volume: 533.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement