ChemSpider 2D Image | (3S)-Tetrahydro-3-thiophenyl [(2S,3R)-3-hydroxy-4-{[(4-hydroxyphenyl)sulfonyl](isobutyl)amino}-1-phenyl-2-butanyl]carbamate | C25H34N2O6S2

(3S)-Tetrahydro-3-thiophenyl [(2S,3R)-3-hydroxy-4-{[(4-hydroxyphenyl)sulfonyl](isobutyl)amino}-1-phenyl-2-butanyl]carbamate

  • Molecular FormulaC25H34N2O6S2
  • Average mass522.677 Da
  • Monoisotopic mass522.185852 Da
  • ChemSpider ID4440437

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3S)-Tetrahydro-3-thiophenyl [(2S,3R)-3-hydroxy-4-{[(4-hydroxyphenyl)sulfonyl](isobutyl)amino}-1-phenyl-2-butanyl]carbamate [ACD/IUPAC Name]
(3S)-Tetrahydro-3-thiophenyl-[(2S,3R)-3-hydroxy-4-{[(4-hydroxyphenyl)sulfonyl](isobutyl)amino}-1-phenyl-2-butanyl]carbamat [German] [ACD/IUPAC Name]
[(2S,3R)-3-Hydroxy-4-{[(4-hydroxyphényl)sulfonyl](isobutyl)amino}-1-phényl-2-butanyl]carbamate de (3S)-tétrahydro-3-thiophényle [French] [ACD/IUPAC Name]
Carbamic acid, N-[(1S,2R)-2-hydroxy-3-[[(4-hydroxyphenyl)sulfonyl](2-methylpropyl)amino]-1-(phenylmethyl)propyl]-, (3S)-tetrahydro-3-thienyl ester [ACD/Index Name]
carbamic acid, [(1S,2R)-2-hydroxy-3-[[(4-hydroxyphenyl)sulfonyl](2-methylpropyl)amino]-1-(phenylmethyl)propyl]-, (3S)-tetrahydro-3-thienyl ester

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

AIDS231487 [DBID]
AIDS-231487 [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: 1.631
Molar Refractivity: 138.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 5.52
ACD/LogD (pH 5.5): 4.57
ACD/BCF (pH 5.5): 1740.77
ACD/KOC (pH 5.5): 7255.40
ACD/LogD (pH 7.4): 4.42
ACD/BCF (pH 7.4): 1228.20
ACD/KOC (pH 7.4): 5119.04
Polar Surface Area: 150 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 64.9±5.0 dyne/cm
Molar Volume: 389.4±5.0 cm3

Click to predict properties on the Chemicalize site


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