ChemSpider 2D Image | Isopropyl (5-{[(3-aminophenyl)sulfonyl][(2R,3S)-3-({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yloxy]carbonyl}amino)-2-hydroxy-4-phenylbutyl]amino}-4,4-dimethylpentyl)carbamate | C34H50N4O9S

Isopropyl (5-{[(3-aminophenyl)sulfonyl][(2R,3S)-3-({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yloxy]carbonyl}amino)-2-hydroxy-4-phenylbutyl]amino}-4,4-dimethylpentyl)carbamate

  • Molecular FormulaC34H50N4O9S
  • Average mass690.847 Da
  • Monoisotopic mass690.329834 Da
  • ChemSpider ID421577

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(5-{[(3-Aminophényl)sulfonyl][(2R,3S)-3-({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yloxy]carbonyl}amino)-2-hydroxy-4-phénylbutyl]amino}-4,4-diméthylpentyl)carbamate d'isopropyle [French] [ACD/IUPAC Name]
Carbamic acid, N-[(1S,2R)-3-[[(3-aminophenyl)sulfonyl][2,2-dimethyl-5-[[(1-methylethoxy)carbonyl]amino]pentyl]amino]-2-hydroxy-1-(phenylmethyl)propyl]-, (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl est er [ACD/Index Name]
Isopropyl (5-{[(3-aminophenyl)sulfonyl][(2R,3S)-3-({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yloxy]carbonyl}amino)-2-hydroxy-4-phenylbutyl]amino}-4,4-dimethylpentyl)carbamate [ACD/IUPAC Name]
Isopropyl-(5-{[(3-aminophenyl)sulfonyl][(2R,3S)-3-({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yloxy]carbonyl}amino)-2-hydroxy-4-phenylbutyl]amino}-4,4-dimethylpentyl)carbamat [German] [ACD/IUPAC Name]
((2R)-4,6-Dioxabicyclo[3.3.0]oct-2-yloxy)-N-[(1S,2R)-3-([(3-aminophenyl)sulfonyl] {2,2-dimethyl-5-[(methylethoxy)carbonylamino]pentyl}amino)-2-hydroxy-1-benzylpropyl] carboxamide

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

AIDS095597 [DBID]
AIDS-095597 [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: 1.599
Molar Refractivity: 181.5±0.4 cm3
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 3.98
ACD/LogD (pH 5.5): 4.01
ACD/BCF (pH 5.5): 655.26
ACD/KOC (pH 5.5): 3607.12
ACD/LogD (pH 7.4): 4.01
ACD/BCF (pH 7.4): 657.44
ACD/KOC (pH 7.4): 3619.11
Polar Surface Area: 187 Å2
Polarizability: 71.9±0.5 10-24cm3
Surface Tension: 60.8±5.0 dyne/cm
Molar Volume: 531.1±5.0 cm3

Click to predict properties on the Chemicalize site


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