ChemSpider 2D Image | ferrienterobactin | C30H24FeN3O15

ferrienterobactin

  • Molecular FormulaC30H24FeN3O15
  • Average mass722.368 Da
  • Monoisotopic mass722.055664 Da
  • ChemSpider ID26606339

  • Charge - Charge

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

ferrienterobactin
[(3S,7S,11S)-N,N',N''-Tris[2,3-di(hydroxy-κO)benzoyl]-2,6,10-trioxo-1,5,9-trioxacyclododecan-3,7,11-triaminiumato(6-)]eisen [German] [ACD/IUPAC Name]
[(3S,7S,11S)-N,N',N''-Tris[2,3-di(hydroxy-κO)benzoyl]-2,6,10-trioxo-1,5,9-trioxacyclododécane-3,7,11-triaminiumato(6-)]fer [French] [ACD/IUPAC Name]
[(3S,7S,11S)-N,N',N''-Tris[2,3-di(hydroxy-κO)benzoyl]-2,6,10-trioxo-1,5,9-trioxacyclododecane-3,7,11-triaminiumato(6-)]iron [ACD/IUPAC Name]
[Fe(H3ent)]
62280-34-6 [RN]
Ferric enterochelin
Ferrienterochelin
Iron, [(3S,7S,11S)-N3,N7,N11-tris[2,3-di(hydroxy-κO)benzoyl]-2,6,10-trioxo-1,5,9-trioxacyclododecane-3,7,11-triaminiumato(6-)]- [ACD/Index Name]
trihydrogen {N,N',N''-[(3S,7S,11S)-2,6,10-trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl]tris[2,3-di(hydroxy-κO)benzamidato]}ferrate(3-)

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

CHEBI:38151 [DBID]

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: 18
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 235 Å2
Polarizability:
Surface Tension:
Molar Volume:

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