ChemSpider 2D Image | N6-[(1R)-2-[(1S)-1-Carboxy-2-(methylthio)ethoxy]-1-(mercaptomethyl)-2-oxoethyl]-6-oxo-L-lysine | C13H22N2O7S2

N6-[(1R)-2-[(1S)-1-Carboxy-2-(methylthio)ethoxy]-1-(mercaptomethyl)-2-oxoethyl]-6-oxo-L-lysine

  • Molecular FormulaC13H22N2O7S2
  • Average mass382.453 Da
  • Monoisotopic mass382.086853 Da
  • ChemSpider ID25058818

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1041170-86-8 [RN]
L-Lysine, N6-[(1R)-2-[(1S)-1-carboxy-2-(methylthio)ethoxy]-1-(mercaptomethyl)-2-oxoethyl]-6-oxo- [ACD/Index Name]
N6-{(2R)-1-[(1S)-1-Carboxy-2-(methylsulfanyl)ethoxy]-1-oxo-3-sulfanyl-2-propanyl}-6-oxo-L-lysin [German] [ACD/IUPAC Name]
N6-{(2R)-1-[(1S)-1-Carboxy-2-(methylsulfanyl)ethoxy]-1-oxo-3-sulfanyl-2-propanyl}-6-oxo-L-lysine [ACD/IUPAC Name]
N6-{(2R)-1-[(1S)-1-Carboxy-2-(méthylsulfanyl)éthoxy]-1-oxo-3-sulfanyl-2-propanyl}-6-oxo-L-lysine [French] [ACD/IUPAC Name]
N6-[(1R)-2-[(1S)-1-Carboxy-2-(methylthio)ethoxy]-1-(mercaptomethyl)-2-oxoethyl]-6-oxo-L-lysine
N6^-[(1r)-2-[(1s)-1-Carboxy-2-(Methylsulfanyl)ethoxy]-2-Oxo-1-(Sulfanylmethyl)ethyl]-6-Oxo-L-Lysine
V20

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

Density: 1.4±0.1 g/cm3
Boiling Point: 698.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 111.4±6.0 kJ/mol
Flash Point: 376.3±31.5 °C
Index of Refraction: 1.570
Molar Refractivity: 90.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 1.22
ACD/LogD (pH 5.5): -3.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 220 Å2
Polarizability: 35.7±0.5 10-24cm3
Surface Tension: 63.2±3.0 dyne/cm
Molar Volume: 274.6±3.0 cm3

Click to predict properties on the Chemicalize site


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