ChemSpider 2D Image | (3S,3aR,5R,6aR)-3-Hydroxyhexahydro-2H-cyclopenta[b]furan-5-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](isobutyl)amino}-3-hydroxy-1-phenyl-2-butanyl]carbamate | C28H39N3O7S

(3S,3aR,5R,6aR)-3-Hydroxyhexahydro-2H-cyclopenta[b]furan-5-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 ID26609708

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(3S,3aR,5R,6aR)-3-Hydroxyhexahydro-2H-cyclopenta[b]furan-5-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](isobutyl)amino}-3-hydroxy-1-phenyl-2-butanyl]carbamate [ACD/IUPAC Name]
(3S,3aR,5R,6aR)-3-Hydroxyhexahydro-2H-cyclopenta[b]furan-5-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 (3S,3aR,5R,6aR)-3-hydroxyhexahydro-2H-cyclopenta[b]furan-5-yle [French] [ACD/IUPAC Name]
Carbamic acid, N-[(1S,2R)-3-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-, (3S,3aR,5R,6aR)-hexahydro-3-hydroxy-2H-cyclopenta[b]furan-5-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: 1.629
Molar Refractivity: 148.0±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 3.73
ACD/LogD (pH 5.5): 3.44
ACD/BCF (pH 5.5): 240.55
ACD/KOC (pH 5.5): 1762.18
ACD/LogD (pH 7.4): 3.44
ACD/BCF (pH 7.4): 240.57
ACD/KOC (pH 7.4): 1762.34
Polar Surface Area: 160 Å2
Polarizability: 58.7±0.5 10-24cm3
Surface Tension: 66.2±5.0 dyne/cm
Molar Volume: 416.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement