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Search term: KDHHWXGBNUCREU-HOTGVXAUSA-K (Found by InChIKey (full match))

ChemSpider 2D Image | aerobactinate trianion | C22H33N4O13

aerobactinate trianion

  • Molecular FormulaC22H33N4O13
  • Average mass561.518 Da
  • Monoisotopic mass561.206055 Da
  • ChemSpider ID26331155
  • Charge - Charge

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

aerobactinate trianion
(8S,16S)-3,12,21-Trihydroxy-2,10,14,22-tetraoxo-3,9,15,21-tetraazatricosan-8,12,16-tricarboxylat [German] [ACD/IUPAC Name]
(8S,16S)-3,12,21-Trihydroxy-2,10,14,22-tetraoxo-3,9,15,21-tetraazatricosane-8,12,16-tricarboxylate [ACD/IUPAC Name]
(8S,16S)-3,12,21-Trihydroxy-2,10,14,22-tétraoxo-3,9,15,21-tétraazatricosane-8,12,16-tricarboxylate [French] [ACD/IUPAC Name]
Aerobactin [Wiki]
  • Miscellaneous
    • Chemical Class:

      A tricarboxylate arising from deprotonation of the three carboxylic acid groups of aerobactin; major species at pH 7.3. ChEBI CHEBI:58396

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

Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 17
#H bond donors: 8
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: -2.95
ACD/LogD (pH 5.5): -8.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.64
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 280 Å2
Surface Tension:
Molar Volume:

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