ChemSpider 2D Image | N~6~-(1-{[1-Carboxy-2-(methylsulfanyl)propyl]amino}-1-oxo-3-sulfanyl-2-propanyl)-6-oxolysine | C14H25N3O6S2

N6-(1-{[1-Carboxy-2-(methylsulfanyl)propyl]amino}-1-oxo-3-sulfanyl-2-propanyl)-6-oxolysine

  • Molecular FormulaC14H25N3O6S2
  • Average mass395.495 Da
  • Monoisotopic mass395.118469 Da
  • ChemSpider ID26325756
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

(2s)-2-Amino-6-[[(2r)-1-[[(2s)-1-Hydroxy-3-Methylsulfanyl-1-Oxo-Butan-2-Yl]amino]-1-Oxo-3-Sulfanyl-Propan-2-Yl]amino]-6-Oxo-Hexanoic Acid
Lysine, N6-[2-[[1-carboxy-2-(methylthio)propyl]amino]-1-(mercaptomethyl)-2-oxoethyl]-6-oxo- [ACD/Index Name]
N6-(1-{[1-Carboxy-2-(methylsulfanyl)propyl]amino}-1-oxo-3-sulfanyl-2-propanyl)-6-oxolysin [German] [ACD/IUPAC Name]
N6-(1-{[1-Carboxy-2-(methylsulfanyl)propyl]amino}-1-oxo-3-sulfanyl-2-propanyl)-6-oxolysine [ACD/IUPAC Name]
N6-(1-{[1-Carboxy-2-(méthylsulfanyl)propyl]amino}-1-oxo-3-sulfanyl-2-propanyl)-6-oxolysine [French] [ACD/IUPAC Name]
M9F

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 758.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 120.2±6.0 kJ/mol
Flash Point: 412.4±32.9 °C
Index of Refraction: 1.571
Molar Refractivity: 96.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 0.88
ACD/LogD (pH 5.5): -3.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 223 Å2
Polarizability: 38.3±0.5 10-24cm3
Surface Tension: 60.5±3.0 dyne/cm
Molar Volume: 294.0±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement