ChemSpider 2D Image | N(alpha)-citryl-N(epsilon)-acetyl-N(epsilon)-hydroxylysine(3-) | C14H19N2O10

N(α)-citryl-N(ε)-acetyl-N(ε)-hydroxylysine(3-)

  • Molecular FormulaC14H19N2O10
  • Average mass375.310 Da
  • Monoisotopic mass375.105621 Da
  • ChemSpider ID27471300

  • Charge - Charge

    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-carboxylatopentyl}amino)-2-oxoethyl]-2-hydroxysuccinate [ACD/IUPAC Name]
2-[2-({(1S)-5-[Acétyl(hydroxy)amino]-1-carboxylatopentyl}amino)-2-oxoéthyl]-2-hydroxysuccinate [French] [ACD/IUPAC Name]
2-[2-({(1S)-5-[Acetyl(hydroxy)amino]-1-carboxylatopentyl}amino)-2-oxoethyl]malat [German] [ACD/IUPAC Name]
Butanedioic acid, 2-[2-[[(1S)-5-(acetylhydroxyamino)-1-carboxypentyl]amino]-2-oxoethyl]-2-hydroxy-, ion(3-) [ACD/Index Name]
N(α)-citryl-N(ε)-acetyl-N(ε)-hydroxylysine(3-)
N(1)-citryl-N(6)-acetyl-N(6)-hydroxylysine
N(2)-citryl-N(6)-acetyl-N(6)-hydroxy-L-lysine
N(2)-citryl-N(6)-acetyl-N(6)-hydroxylysine
N(α)-citryl-N(ε)-acetyl-N(ε)-hydroxylysine trianion

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

CHEBI:63796 [DBID]
  • Miscellaneous

    • Chemical Class:

      A tricarboxylic acid trianion obtained by deprotonation of the three carboxy groups of N(alpha)-citryl-N(epsilon)-acetyl-N(epsilon)-hydroxylysine. ChEBI CHEBI:63796
      A tricarboxylic acid trianion obtained by deprotonation of the three carboxy groups of Nalpha-citryl-Nepsi; lon-acetyl-Nepsilon-hydroxylysine. ChEBI CHEBI:63796

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#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: 210 Å2
Polarizability:
Surface Tension:
Molar Volume:

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