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Search term: ZQJLVCKJQHWULH-HNXVLALESA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (3R,3aS,4R,6aR)-4-(Methylamino)hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](isobutyl)amino}-3-hydroxy-1-phenyl-2-butanyl]carbamate | C28H40N4O7S

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

  • Molecular FormulaC28H40N4O7S
  • Average mass576.705 Da
  • Monoisotopic mass576.261780 Da
  • ChemSpider ID59002780

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(3r,3as,4r,6ar)-4-(Methylamino)hexahydrofuro[2,3-B]furan-3-Yl [(2s,3r)-4-{[(4-Aminophenyl)sulfonyl](2-Methylpropyl)amino}-3-Hydroxy-1-Phenylbutan-2-Yl]carbamate
(3R,3aS,4R,6aR)-4-(Methylamino)hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](isobutyl)amino}-3-hydroxy-1-phenyl-2-butanyl]carbamate [ACD/IUPAC Name]
(3R,3aS,4R,6aR)-4-(Methylamino)hexahydrofuro[2,3-b]furan-3-yl-[(2S,3R)-4-{[(4-aminophenyl)sulfonyl](isobutyl)amino}-3-hydroxy-1-phenyl-2-butanyl]carbamat [German] [ACD/IUPAC Name]
[(2S,3R)-4-{[(4-Aminophényl)sulfonyl](isobutyl)amino}-3-hydroxy-1-phényl-2-butanyl]carbamate de (3R,3aS,4R,6aR)-4-(méthylamino)hexahydrofuro[2,3-b]furan-3-yle [French] [ACD/IUPAC Name]
Carbamic acid, N-[(1S,2R)-3-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-, (3R,3aS,4R,6aR)-hexahydro-4-(methylamino)furo[2,3-b]furan-3-yl ester [ACD/Index Name]
4UX

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: 1.619
Molar Refractivity: 151.8±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 3.72
ACD/LogD (pH 5.5): -0.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.09
ACD/BCF (pH 7.4): 1.58
ACD/KOC (pH 7.4): 16.03
Polar Surface Area: 161 Å2
Polarizability: 60.2±0.5 10-24cm3
Surface Tension: 63.1±5.0 dyne/cm
Molar Volume: 432.5±5.0 cm3

Click to predict properties on the Chemicalize site


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