ChemSpider 2D Image | N-[(2S,4R,5S)-4-Hydroxy-1,6-diphenyl-5-{[(1,3-thiazolidin-5-ylmethoxy)carbonyl]amino}-2-hexanyl]-N~2~-(methylcarbamoyl)-D-valinamide | C30H43N5O5S

N-[(2S,4R,5S)-4-Hydroxy-1,6-diphenyl-5-{[(1,3-thiazolidin-5-ylmethoxy)carbonyl]amino}-2-hexanyl]-N2-(methylcarbamoyl)-D-valinamide

  • Molecular FormulaC30H43N5O5S
  • Average mass585.758 Da
  • Monoisotopic mass585.298462 Da
  • ChemSpider ID111309666

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

Carbamic acid, N-[(1S,2R,4S)-2-hydroxy-4-[[(2R)-3-methyl-2-[[(methylamino)carbonyl]amino]-1-oxobutyl]amino]-5-phenyl-1-(phenylmethyl)pentyl]-, 5-thiazolidinylmethyl ester [ACD/Index Name]
N-[(2S,4R,5S)-4-Hydroxy-1,6-diphenyl-5-{[(1,3-thiazolidin-5-ylmethoxy)carbonyl]amino}-2-hexanyl]-N2-(methylcarbamoyl)-D-valinamid [German] [ACD/IUPAC Name]
N-[(2S,4R,5S)-4-Hydroxy-1,6-diphenyl-5-{[(1,3-thiazolidin-5-ylmethoxy)carbonyl]amino}-2-hexanyl]-N2-(methylcarbamoyl)-D-valinamide [ACD/IUPAC Name]
N-[(2S,4R,5S)-4-Hydroxy-1,6-diphényl-5-{[(1,3-thiazolidin-5-ylméthoxy)carbonyl]amino}-2-hexanyl]-N2-(méthylcarbamoyl)-D-valinamide [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 874.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.1±3.0 kJ/mol
Flash Point: 482.4±34.3 °C
Index of Refraction: 1.573
Molar Refractivity: 161.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 2.98
ACD/LogD (pH 5.5): 0.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.52
ACD/LogD (pH 7.4): 1.97
ACD/BCF (pH 7.4): 12.29
ACD/KOC (pH 7.4): 127.84
Polar Surface Area: 166 Å2
Polarizability: 64.0±0.5 10-24cm3
Surface Tension: 50.2±3.0 dyne/cm
Molar Volume: 490.2±3.0 cm3

Click to predict properties on the Chemicalize site


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