ChemSpider 2D Image | (4R)-3-[(2S,4R)-4-Benzyl-2-hydroxy-5-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-5-oxopentanoyl]-5,5-dimethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide | C29H34F3N3O5S

(4R)-3-[(2S,4R)-4-Benzyl-2-hydroxy-5-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-5-oxopentanoyl]-5,5-dimethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide

  • Molecular FormulaC29H34F3N3O5S
  • Average mass593.658 Da
  • Monoisotopic mass593.217102 Da
  • ChemSpider ID8070484

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(4R)-3-[(2S,4R)-4-Benzyl-2-hydroxy-5-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-5-oxopentanoyl]-5,5-dimethyl-N-(2,2,2-trifluorethyl)-1,3-thiazolidin-4-carboxamid [German] [ACD/IUPAC Name]
(4R)-3-[(2S,4R)-4-Benzyl-2-hydroxy-5-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-5-oxopentanoyl]-5,5-dimethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide [ACD/IUPAC Name]
(4R)-3-[(2S,4R)-4-Benzyl-2-hydroxy-5-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-indén-1-yl]amino}-5-oxopentanoyl]-5,5-diméthyl-N-(2,2,2-trifluoroéthyl)-1,3-thiazolidine-4-carboxamide [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 876.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.5±3.0 kJ/mol
Flash Point: 483.9±34.3 °C
Index of Refraction: 1.615
Molar Refractivity: 149.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.51
ACD/LogD (pH 5.5): 3.22
ACD/BCF (pH 5.5): 166.22
ACD/KOC (pH 5.5): 1352.60
ACD/LogD (pH 7.4): 3.22
ACD/BCF (pH 7.4): 166.22
ACD/KOC (pH 7.4): 1352.58
Polar Surface Area: 144 Å2
Polarizability: 59.1±0.5 10-24cm3
Surface Tension: 60.8±5.0 dyne/cm
Molar Volume: 427.1±5.0 cm3

Click to predict properties on the Chemicalize site


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