ChemSpider 2D Image | (3S)-Tetrahydro-3-furanyl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](4-piperidinylmethyl)amino}-1-phenyl-2-butanyl]carbamate | C28H39N3O7S

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

  • Molecular FormulaC28H39N3O7S
  • Average mass561.690 Da
  • Monoisotopic mass561.250854 Da
  • ChemSpider ID417843

  • 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)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](4-piperidinylmethyl)amino}-1-phenyl-2-butanyl]carbamate [ACD/IUPAC Name]
(3S)-Tetrahydro-3-furanyl-[(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](4-piperidinylmethyl)amino}-1-phenyl-2-butanyl]carbamat [German] [ACD/IUPAC Name]
[(2S,3R)-3-Hydroxy-4-{[(4-méthoxyphényl)sulfonyl](4-pipéridinylméthyl)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](4-piperidinylmethyl)amino]-1-(phenylmethyl)propyl]-, (3S)-tetrahydro-3-furanyl ester [ACD/Index Name]

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

AIDS086566 [DBID]
AIDS-086566 [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: 1.611
Molar Refractivity: 148.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 4.56
ACD/LogD (pH 5.5): 0.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.69
ACD/LogD (pH 7.4): 0.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.01
Polar Surface Area: 135 Å2
Polarizability: 58.8±0.5 10-24cm3
Surface Tension: 61.3±5.0 dyne/cm
Molar Volume: 427.2±5.0 cm3

Click to predict properties on the Chemicalize site


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