ChemSpider 2D Image | N-[(2S,3R)-5-(Acetyl{(2S)-3-(4-chlorophenyl)-1-[(2-methyl-2-propanyl)amino]-1-oxo-2-propanyl}amino)-3-hydroxy-1-phenyl-2-pentanyl]-3-hydroxy-2-methylbenzamide | C34H42ClN3O5

N-[(2S,3R)-5-(Acetyl{(2S)-3-(4-chlorophenyl)-1-[(2-methyl-2-propanyl)amino]-1-oxo-2-propanyl}amino)-3-hydroxy-1-phenyl-2-pentanyl]-3-hydroxy-2-methylbenzamide

  • Molecular FormulaC34H42ClN3O5
  • Average mass608.167 Da
  • Monoisotopic mass607.281311 Da
  • ChemSpider ID417222

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

D-erythro-Pentitol, 5-[acetyl[(1S)-1-[(4-chlorophenyl)methyl]-2-[(1,1-dimethylethyl)amino]-2-oxoethyl]amino]-1,2,4,5-tetradeoxy-2-[(3-hydroxy-2-methylbenzoyl)amino]-1-phenyl- [ACD/Index Name]
N-[(2S,3R)-5-(Acetyl{(2S)-3-(4-chlorophenyl)-1-[(2-methyl-2-propanyl)amino]-1-oxo-2-propanyl}amino)-3-hydroxy-1-phenyl-2-pentanyl]-3-hydroxy-2-methylbenzamide [ACD/IUPAC Name]
N-[(2S,3R)-5-(Acétyl{(2S)-3-(4-chlorophényl)-1-[(2-méthyl-2-propanyl)amino]-1-oxo-2-propanyl}amino)-3-hydroxy-1-phényl-2-pentanyl]-3-hydroxy-2-méthylbenzamide [French] [ACD/IUPAC Name]
N-[(2S,3R)-5-(Acetyl{(2S)-3-(4-chlorphenyl)-1-[(2-methyl-2-propanyl)amino]-1-oxo-2-propanyl}amino)-3-hydroxy-1-phenyl-2-pentanyl]-3-hydroxy-2-methylbenzamid [German] [ACD/IUPAC Name]
N-((1S,2R)-{Acetyl-[(S)-1-tert-butylcarbamoyl-2-(4-chloro-phenyl)-ethyl]-amino}-benzyl-hydroxy-butyl)-hydroxy-C-methyl-benzamide

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

AIDS085564 [DBID]
AIDS-085564 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 857.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 130.6±3.0 kJ/mol
Flash Point: 472.6±34.3 °C
Index of Refraction: 1.591
Molar Refractivity: 169.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 5.04
ACD/LogD (pH 5.5): 4.84
ACD/BCF (pH 5.5): 2816.97
ACD/KOC (pH 5.5): 10255.05
ACD/LogD (pH 7.4): 4.84
ACD/BCF (pH 7.4): 2796.27
ACD/KOC (pH 7.4): 10179.68
Polar Surface Area: 119 Å2
Polarizability: 67.2±0.5 10-24cm3
Surface Tension: 50.7±3.0 dyne/cm
Molar Volume: 501.4±3.0 cm3

Click to predict properties on the Chemicalize site


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