ChemSpider 2D Image | (3S)-Tetrahydro-3-furanyl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methyl-5-oxohexyl)amino}-1-phenyl-2-butanyl]carbamate | C29H40N2O8S

(3S)-Tetrahydro-3-furanyl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methyl-5-oxohexyl)amino}-1-phenyl-2-butanyl]carbamate

  • Molecular FormulaC29H40N2O8S
  • Average mass576.701 Da
  • Monoisotopic mass576.250549 Da
  • ChemSpider ID421453

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(3S)-Tetrahydro-3-furanyl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methyl-5-oxohexyl)amino}-1-phenyl-2-butanyl]carbamate [ACD/IUPAC Name]
(3S)-Tetrahydro-3-furanyl-[(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methyl-5-oxohexyl)amino}-1-phenyl-2-butanyl]carbamat [German] [ACD/IUPAC Name]
[(2S,3R)-3-Hydroxy-4-{[(4-méthoxyphényl)sulfonyl](2-méthyl-5-oxohexyl)amino}-1-phényl-2-butanyl]carbamate de (3S)-tétrahydro-3-furanyle [French] [ACD/IUPAC Name]
Carbamic acid, N-[(1S,2R)-2-hydroxy-3-[[(4-methoxyphenyl)sulfonyl](2-methyl-5-oxohexyl)amino]-1-(phenylmethyl)propyl]-, (3S)-tetrahydro-3-furanyl ester [ACD/Index Name]
(3S)-Tetrahydro-3-furanyl-N-(1s,2R)-1-benzyl-2-hydroxy-3-[[(4-methoxyphenyl) sulfonyl](2-methyl-5-oxohexyl) amino] propyl carbamate

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

AIDS095467 [DBID]
AIDS-095467 [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: 1.585
Molar Refractivity: 151.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 4.88
ACD/LogD (pH 5.5): 3.64
ACD/BCF (pH 5.5): 344.09
ACD/KOC (pH 5.5): 2276.94
ACD/LogD (pH 7.4): 3.64
ACD/BCF (pH 7.4): 344.05
ACD/KOC (pH 7.4): 2276.71
Polar Surface Area: 140 Å2
Polarizability: 60.0±0.5 10-24cm3
Surface Tension: 57.3±5.0 dyne/cm
Molar Volume: 451.4±5.0 cm3

Click to predict properties on the Chemicalize site


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