ChemSpider 2D Image | (3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(2-amino-1-methyl-1H-benzimidazol-6-yl)sulfonyl](isobutyl)amino}-3-hydroxy-1-phenyl-2-butanyl]carbamate | C29H39N5O7S

(3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(2-amino-1-methyl-1H-benzimidazol-6-yl)sulfonyl](isobutyl)amino}-3-hydroxy-1-phenyl-2-butanyl]carbamate

  • Molecular FormulaC29H39N5O7S
  • Average mass601.714 Da
  • Monoisotopic mass601.257019 Da
  • ChemSpider ID4675184

  • 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-{[(2-amino-1-methyl-1H-benzimidazol-6-yl)sulfonyl](isobutyl)amino}-3-hydroxy-1-phenyl-2-butanyl]carbamate [ACD/IUPAC Name]
(3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl-[(2S,3R)-4-{[(2-amino-1-methyl-1H-benzimidazol-6-yl)sulfonyl](isobutyl)amino}-3-hydroxy-1-phenyl-2-butanyl]carbamat [German] [ACD/IUPAC Name]
[(2S,3R)-4-{[(2-Amino-1-méthyl-1H-benzimidazol-6-yl)sulfonyl](isobutyl)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-[[(2-amino-1-methyl-1H-benzimidazol-6-yl)sulfonyl](2-methylpropyl)amino]-2-hydroxy-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 {(1S,2R)-3-[[(2-amino-1-methyl-1H-benzimidazol-6-yl)sulfonyl](isobutyl)amino]-1-benzyl-2-hydroxypropyl}carbamate

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

AIDS223695 [DBID]
AIDS-223695 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.666
Molar Refractivity: 154.5±0.5 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 3.38
ACD/LogD (pH 5.5): 2.55
ACD/BCF (pH 5.5): 39.97
ACD/KOC (pH 5.5): 364.45
ACD/LogD (pH 7.4): 2.99
ACD/BCF (pH 7.4): 108.87
ACD/KOC (pH 7.4): 992.80
Polar Surface Area: 167 Å2
Polarizability: 61.2±0.5 10-24cm3
Surface Tension: 57.2±7.0 dyne/cm
Molar Volume: 415.4±7.0 cm3

Click to predict properties on the Chemicalize site


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