ChemSpider 2D Image | N~6~-[(2R)-1-{[(1S)-1-Carboxypropyl]amino}-1-oxo-3-sulfanyl-2-propanyl]-6-oxo-L-lysine | C13H23N3O6S

N6-[(2R)-1-{[(1S)-1-Carboxypropyl]amino}-1-oxo-3-sulfanyl-2-propanyl]-6-oxo-L-lysine

  • Molecular FormulaC13H23N3O6S
  • Average mass349.403 Da
  • Monoisotopic mass349.130768 Da
  • ChemSpider ID25058568
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

L-Lysine, N6-[(1R)-2-[[(1S)-1-carboxypropyl]amino]-1-(mercaptomethyl)-2-oxoethyl]-6-oxo- [ACD/Index Name]
N^6^-[(1R)-2-{[(1S)-1-carboxypropyl]amino}-2-oxo-1-(sulfanylmethyl)ethyl]-6-oxo-L-lysine
N6-[(2R)-1-{[(1S)-1-Carboxypropyl]amino}-1-oxo-3-sulfanyl-2-propanyl]-6-oxo-L-lysin [German] [ACD/IUPAC Name]
N6-[(2R)-1-{[(1S)-1-Carboxypropyl]amino}-1-oxo-3-sulfanyl-2-propanyl]-6-oxo-L-lysine [ACD/IUPAC Name]
N6-[(2R)-1-{[(1S)-1-Carboxypropyl]amino}-1-oxo-3-sulfanyl-2-propanyl]-6-oxo-L-lysine [French] [ACD/IUPAC Name]
VB1

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

Density: 1.3±0.1 g/cm3
Boiling Point: 726.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 115.5±6.0 kJ/mol
Flash Point: 393.2±32.9 °C
Index of Refraction: 1.551
Molar Refractivity: 84.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 0.22
ACD/LogD (pH 5.5): -4.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 198 Å2
Polarizability: 33.3±0.5 10-24cm3
Surface Tension: 59.9±3.0 dyne/cm
Molar Volume: 263.1±3.0 cm3

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