ChemSpider 2D Image | (3S)-Tetrahydro-3-furanyl [(2S,3R)-4-{(cyclopentylmethyl)[(4-methoxyphenyl)sulfonyl]amino}-3-hydroxy-1-phenyl-2-butanyl]carbamate | C28H38N2O7S

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

  • Molecular FormulaC28H38N2O7S
  • Average mass546.675 Da
  • Monoisotopic mass546.239990 Da
  • ChemSpider ID406718

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3S)-Tetrahydro-3-furanyl [(2S,3R)-4-{(cyclopentylmethyl)[(4-methoxyphenyl)sulfonyl]amino}-3-hydroxy-1-phenyl-2-butanyl]carbamate [ACD/IUPAC Name]
(3S)-Tetrahydro-3-furanyl-[(2S,3R)-4-{(cyclopentylmethyl)[(4-methoxyphenyl)sulfonyl]amino}-3-hydroxy-1-phenyl-2-butanyl]carbamat [German] [ACD/IUPAC Name]
[(2S,3R)-4-{(Cyclopentylméthyl)[(4-méthoxyphényl)sulfonyl]amino}-3-hydroxy-1-phényl-2-butanyl]carbamate de (3S)-tétrahydro-3-furanyle [French] [ACD/IUPAC Name]
Carbamic acid, N-[(1S,2R)-3-[(cyclopentylmethyl)[(4-methoxyphenyl)sulfonyl]amino]-2-hydroxy-1-(phenylmethyl)propyl]-, (3S)-tetrahydro-3-furanyl ester [ACD/Index Name]
(3S)-OXOLAN-3-YL] N-[(2S,3R)-4-[CYCLOPENTYLMETHYL-(4-METHOXYPHENYL)SU LFONYL-AMINO]-3-HYDROXY-1-PHENYL-BUTAN-2-YL]CARBAMATE
[(3S)-oxolan-3-yl] N-[(2S,3R)-4-[cyclopentylmethyl-(4-methoxyphenyl)su lfonyl-amino]-3-hydroxy-1-phe
[(3S)-oxolan-3-yl] N-[(2S,3R)-4-[cyclopentylmethyl-(4-methoxyphenyl)sulfonylamino]-3-hydroxy-1-phenylbutan-2-yl]carbamate
160231-42-5 [RN]
Carbamic acid, ((1S,2R)-3-((cyclopentylmethyl)((4-methoxyphenyl)sulfonyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)-,(3S)-tetrahydro-3-furanyl ester
Carbamic acid, [(1S,2R)-3-[(cyclopentylmethyl)[(4-methoxyphenyl)sulfonyl]amino]-2-hydroxy-1-(phenylmethyl)propyl]-,(3S)-tetrahydro-3-furanyl ester
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AIDS031900 [DBID]
AIDS-031900 [DBID]
AIDS072900 [DBID]
AIDS-072900 [DBID]
VB-11328 [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: 1.605
Molar Refractivity: 144.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 6.02
ACD/LogD (pH 5.5): 4.60
ACD/BCF (pH 5.5): 1857.85
ACD/KOC (pH 5.5): 7612.99
ACD/LogD (pH 7.4): 4.60
ACD/BCF (pH 7.4): 1857.66
ACD/KOC (pH 7.4): 7612.20
Polar Surface Area: 123 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 59.7±5.0 dyne/cm
Molar Volume: 419.8±5.0 cm3

Click to predict properties on the Chemicalize site


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