ChemSpider 2D Image | (3aS,4S,7aR)-Hexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](isobutyl)amino}-3-hydroxy-1-phenyl-2-butanyl]carbamate | C28H39N3O7S

(3aS,4S,7aR)-Hexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](isobutyl)amino}-3-hydroxy-1-phenyl-2-butanyl]carbamate

  • Molecular FormulaC28H39N3O7S
  • Average mass561.690 Da
  • Monoisotopic mass561.250854 Da
  • ChemSpider ID26391447

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(3aS,4S,7aR)-Hexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](isobutyl)amino}-3-hydroxy-1-phenyl-2-butanyl]carbamate [ACD/IUPAC Name]
(3aS,4S,7aR)-Hexahydro-4H-furo[2,3-b]pyran-4-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 (3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yle [French] [ACD/IUPAC Name]
Carbamic acid, N-[(1S,2R)-3-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-, (3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yl ester [ACD/Index Name]

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: 1.615
Molar Refractivity: 148.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 4.32
ACD/LogD (pH 5.5): 3.31
ACD/BCF (pH 5.5): 194.18
ACD/KOC (pH 5.5): 1511.76
ACD/LogD (pH 7.4): 3.31
ACD/BCF (pH 7.4): 194.20
ACD/KOC (pH 7.4): 1511.89
Polar Surface Area: 149 Å2
Polarizability: 58.7±0.5 10-24cm3
Surface Tension: 62.4±5.0 dyne/cm
Molar Volume: 424.5±5.0 cm3

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