ChemSpider 2D Image | N(alpha)-citryl-N(epsilon)-acetyl-N(epsilon)-hydroxylysine | C14H22N2O10

N(α)-citryl-N(ε)-acetyl-N(ε)-hydroxylysine

  • Molecular FormulaC14H22N2O10
  • Average mass378.332 Da
  • Monoisotopic mass378.127441 Da
  • ChemSpider ID27471301

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

2-[2-({(1S)-5-[Acetyl(hydroxy)amino]-1-carboxypentyl}amino)-2-oxoethyl]-2-hydroxybernsteinsäure [German] [ACD/IUPAC Name]
2-[2-({(1S)-5-[Acetyl(hydroxy)amino]-1-carboxypentyl}amino)-2-oxoethyl]-2-hydroxysuccinic acid [ACD/IUPAC Name]
Acide 2-[2-({(1S)-5-[acétyl(hydroxy)amino]-1-carboxypentyl}amino)-2-oxoéthyl]-2-hydroxysuccinique [French] [ACD/IUPAC Name]
Butanedioic acid, 2-[2-[[(1S)-5-(acetylhydroxyamino)-1-carboxypentyl]amino]-2-oxoethyl]-2-hydroxy- [ACD/Index Name]
N(α)-citryl-N(ε)-acetyl-N(ε)-hydroxylysine
N(2)-citryl-N(6)-acetyl-N(6)-hydroxylysine
N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine

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

CHEBI:63801 [DBID]
  • Miscellaneous

    • Chemical Class:

      An <stereo>L</stereo>-lysine derivative that is <element>N</element><smallsup><locant>alpha</locant></smallsup>-citryl-<stereo>L</stereo>-lysine having hydroxy and acetyl substituents attached to the side-chain amino group. ChEBI CHEBI:63801
      An L-lysine derivative that is N(alpha)-citryl-L-lysine having hydroxy and acetyl substituents attached to the side-chain amino group. ChEBI CHEBI:63801
      An L-lysine derivative that is Nalpha-citryl-L-lysine having hydroxy and acetyl substituents attached to the ; side-chain amino group. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:63801

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.572
Molar Refractivity: 82.0±0.3 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: -2.08
ACD/LogD (pH 5.5): -7.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 202 Å2
Polarizability: 32.5±0.5 10-24cm3
Surface Tension: 79.5±3.0 dyne/cm
Molar Volume: 249.3±3.0 cm3

Click to predict properties on the Chemicalize site


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