ChemSpider 2D Image | N-[(5S)-5-Amino-5-carboxypentanoyl]-L-homocysteyl-D-valine | C15H27N3O6S

N-[(5S)-5-Amino-5-carboxypentanoyl]-L-homocysteyl-D-valine

  • Molecular FormulaC15H27N3O6S
  • Average mass377.456 Da
  • Monoisotopic mass377.162048 Da
  • ChemSpider ID23150386

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

D-Valine, N-[(5S)-5-amino-5-carboxy-1-oxopentyl]-L-homocysteyl- [ACD/Index Name]
N-[(5S)-5-Amino-5-carboxypentanoyl]-L-homocysteinyl-D-valin [German] [ACD/IUPAC Name]
N-[(5S)-5-Amino-5-carboxypentanoyl]-L-homocysteyl-D-valine [ACD/IUPAC Name]
N-[(5S)-5-Amino-5-carboxypentanoyl]-L-homocysteyl-D-valine [French] [ACD/IUPAC Name]
2-Amino-5-[1-(1-carboxy-2-methyl-propylcarbamoyl)-3-mercapto-propylcarbamoyl]-pentanoic acid
HCV

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

Density: 1.3±0.1 g/cm3
Boiling Point: 730.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.2 mmHg at 25°C
Enthalpy of Vaporization: 116.1±6.0 kJ/mol
Flash Point: 395.8±32.9 °C
Index of Refraction: 1.541
Molar Refractivity: 93.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 0.55
ACD/LogD (pH 5.5): -3.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 198 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 55.4±3.0 dyne/cm
Molar Volume: 296.5±3.0 cm3

Click to predict properties on the Chemicalize site


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