ChemSpider 2D Image | (3S)-Tetrahydro-3-furanyl [(2S,3R)-4-{[(4-acetamidophenyl)sulfonyl][(2S)-tetrahydro-2-furanylmethyl]amino}-3-hydroxy-1-phenyl-2-butanyl]carbamate | C28H37N3O8S

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

  • Molecular FormulaC28H37N3O8S
  • Average mass575.674 Da
  • Monoisotopic mass575.230164 Da
  • ChemSpider ID414794

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3S)-Tetrahydro-3-furanyl [(2S,3R)-4-{[(4-acetamidophenyl)sulfonyl][(2S)-tetrahydro-2-furanylmethyl]amino}-3-hydroxy-1-phenyl-2-butanyl]carbamate [ACD/IUPAC Name]
(3S)-Tetrahydro-3-furanyl-[(2S,3R)-4-{[(4-acetamidophenyl)sulfonyl][(2S)-tetrahydro-2-furanylmethyl]amino}-3-hydroxy-1-phenyl-2-butanyl]carbamat [German] [ACD/IUPAC Name]
[(2S,3R)-4-{[(4-Acétamidophényl)sulfonyl][(2S)-tétrahydro-2-furanylméthyl]amino}-3-hydroxy-1-phényl-2-butanyl]carbamate de (3S)-tétrahydro-3-furanyle [French] [ACD/IUPAC Name]
Carbamic acid, N-[(1S,2R)-3-[[[4-(acetylamino)phenyl]sulfonyl][[(2S)-tetrahydro-2-furanyl]methyl]amino]-2-hydroxy-1-(phenylmethyl)propyl]-, (3S)-tetrahydro-3-furanyl ester [ACD/Index Name]
N-{4-[({3-[((3R)-Oxolan-3-yloxy)carbonylamino](3S,2R)-2-hydroxy-4-phenylbutyl}((2S and 2R)-oxolan-2-ylmethyl)amino)sulfonyl]phenyl}acetamide

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

AIDS072585 [DBID]
AIDS-072585 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.617
Molar Refractivity: 148.4±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 3.18
ACD/LogD (pH 5.5): 2.91
ACD/BCF (pH 5.5): 96.33
ACD/KOC (pH 5.5): 915.33
ACD/LogD (pH 7.4): 2.91
ACD/BCF (pH 7.4): 96.32
ACD/KOC (pH 7.4): 915.23
Polar Surface Area: 152 Å2
Polarizability: 58.8±0.5 10-24cm3
Surface Tension: 64.3±5.0 dyne/cm
Molar Volume: 424.0±5.0 cm3

Click to predict properties on the Chemicalize site


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