ChemSpider 2D Image | (3R)-Tetrahydro-3-furanyl [(2S,3R)-4-{(cyclopentylmethyl)[(4-fluorophenyl)sulfonyl]amino}-3-hydroxy-1-phenyl-2-butanyl]carbamate | C27H35FN2O6S

(3R)-Tetrahydro-3-furanyl [(2S,3R)-4-{(cyclopentylmethyl)[(4-fluorophenyl)sulfonyl]amino}-3-hydroxy-1-phenyl-2-butanyl]carbamate

  • Molecular FormulaC27H35FN2O6S
  • Average mass534.640 Da
  • Monoisotopic mass534.219971 Da
  • ChemSpider ID415013

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3R)-Tetrahydro-3-furanyl [(2S,3R)-4-{(cyclopentylmethyl)[(4-fluorophenyl)sulfonyl]amino}-3-hydroxy-1-phenyl-2-butanyl]carbamate [ACD/IUPAC Name]
(3R)-Tetrahydro-3-furanyl-[(2S,3R)-4-{(cyclopentylmethyl)[(4-fluorphenyl)sulfonyl]amino}-3-hydroxy-1-phenyl-2-butanyl]carbamat [German] [ACD/IUPAC Name]
[(2S,3R)-4-{(Cyclopentylméthyl)[(4-fluorophényl)sulfonyl]amino}-3-hydroxy-1-phényl-2-butanyl]carbamate de (3R)-tétrahydro-3-furanyle [French] [ACD/IUPAC Name]
Carbamic acid, N-[(1S,2R)-3-[(cyclopentylmethyl)[(4-fluorophenyl)sulfonyl]amino]-2-hydroxy-1-(phenylmethyl)propyl]-, (3R)-tetrahydro-3-furanyl ester [ACD/Index Name]
N-((1S,2R)-3-{[(2,4-Dinitrophenyl)sulfonyl](cyclopentylmethyl)amino}-2-hydroxy-1-benzylpropyl)(2R and 2S)-oxolan-3-yloxycarboxamide

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

AIDS072852 [DBID]
AIDS-072852 [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: 1.603
Molar Refractivity: 138.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 5.81
ACD/LogD (pH 5.5): 4.67
ACD/BCF (pH 5.5): 2070.34
ACD/KOC (pH 5.5): 8226.59
ACD/LogD (pH 7.4): 4.67
ACD/BCF (pH 7.4): 2070.13
ACD/KOC (pH 7.4): 8225.73
Polar Surface Area: 114 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 59.0±5.0 dyne/cm
Molar Volume: 402.7±5.0 cm3

Click to predict properties on the Chemicalize site


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