ChemSpider 2D Image | rhizobactin 1021 | C24H42N4O9

rhizobactin 1021

  • Molecular FormulaC24H42N4O9
  • Average mass530.612 Da
  • Monoisotopic mass530.295166 Da
  • ChemSpider ID29368224

  • Double-bond stereo - Double-bond stereo

More details:

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

4-({3-[Acetyl(hydroxy)amino]propyl}amino)-2-[2-({3-[(2E)-2-decenoyl(hydroxy)amino]propyl}amino)-2-oxoethyl]-2-hydroxy-4-oxobutanoic acid [ACD/IUPAC Name]
4-({3-[Acetyl(hydroxy)amino]propyl}amino)-2-[2-({3-[(2E)-2-decenoyl(hydroxy)amino]propyl}amino)-2-oxoethyl]-2-hydroxy-4-oxobutansäure [German] [ACD/IUPAC Name]
Acide 4-({3-[acétyl(hydroxy)amino]propyl}amino)-2-[2-({3-[(2E)-2-decenoyl(hydroxy)amino]propyl}amino)-2-oxoéthyl]-2-hydroxy-4-oxobutanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 4-[[3-(acetylhydroxyamino)propyl]amino]-2-hydroxy-2-[2-[[3-[hydroxy[(2E)-1-oxo-2-decen-1-yl]amino]propyl]amino]-2-oxoethyl]-4-oxo- [ACD/Index Name]
rhizobactin 1021
rhizobactin-1021
4-({3-[acetyl(hydroxy)amino]propyl}amino)-2-[2-({3-[(2E)-dec-2-enoyl(hydroxy)amino]propyl}amino)-2-oxoethyl]-2-hydroxy-4-oxobutanoic acid
rhizobactin 1021hizobactin-1021
  • Miscellaneous

    • Chemical Class:

      A hydoxy monocarboxylic acid that is citric acid in which the two carboxy groups attached to methylene groups have each been converted to the carboxamide arising by formal condensation with the prima ry amino group of N-hydroxypropane-1,3-diamine and in which the nitrogen of one of the hydroxylamino groups has been acetylated while the other has been acylated with a (2<stereo>E</stereo>)-dec-2-eno yl group. Rhizobactin 1021 is a siderophore obtained fromj the nitrogen-fixing alfalfa symbiont <ital>Rhizobium meliloti</ital> 1021. ChEBI CHEBI:74252
      A hydoxy monocarboxylic acid that is citric acid in which the two carboxy groups attached to methylene groups have each been converted to the carboxamide arising by formal condensation with the prima ry amino group of N-hydroxypropane-1,3-diamine and in which the nitrogen of one of the hydroxylamino groups has been acetylated while the other has been acylated with a (2E)-dec-2-eno; yl group. Rhizo bactin 1021 is a siderophore obtained fromj the nitrogen-fixing alfalfa symbiont Rhizobium meliloti 1021. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:74252
      A hydoxy monocarboxylic acid that is citric acid in which the two carboxy groups attached to methylene groups have each been converted to the carboxamide arising by formal condensation with the prima ry amino group of N-hydroxypropane-1,3-diamine and in which the nitrogen of one of the hydroxylamino groups has been acetylated while the other has been acylated with a (2E)-dec-2-enoyl group. Rhizoba ctin 1021 is a siderophore obtained fromj the nitrogen-fixing alfalfa symbiont Rhizobium meliloti 1021. ChEBI CHEBI:74252

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.542
Molar Refractivity: 134.2±0.3 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 3
ACD/LogP: 1.39
ACD/LogD (pH 5.5): -1.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 197 Å2
Polarizability: 53.2±0.5 10-24cm3
Surface Tension: 56.6±3.0 dyne/cm
Molar Volume: 426.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement