ChemSpider 2D Image | {N,N',N''-[(3S,7S,11S)-2,6,10-Trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl]tris[2,3-di(hydroxy-kappaO)benzamidato](6-)}ferrate(3-) | C30H21FeN3O15

{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](6-)}ferrate(3-)

  • Molecular FormulaC30H21FeN3O15
  • Average mass719.346 Da
  • Monoisotopic mass719.033875 Da
  • ChemSpider ID21864908
  • Charge - Charge

    defined stereocentres - 3 of 3 defined stereocentres


More details:






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

{N,N',N''-[(3S,7S,11S)-2,6,10-Trioxo-1,5,9-trioxacyclododecan-3,7,11-triyl]tris[2,3-di(hydroxy-κO)benzamidato](6-)}ferrat(3-) [German] [ACD/IUPAC Name]
{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](6-)}ferrate(3-) [ACD/IUPAC Name]
{N,N',N''-[(3S,7S,11S)-2,6,10-Trioxo-1,5,9-trioxacyclododécane-3,7,11-triyl]tris[2,3-di(hydroxy-κO)benzamidato](6-)}ferrate(3-) [French] [ACD/IUPAC Name]
Ferrate(3-), [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](6-)]- [ACD/Index Name]
[Fe(ent)](3-)
{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-)
Fe-enterobactin
ferrienterobactin
ferrienterobactin(3-)

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

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: 222 Å2
Polarizability:
Surface Tension:
Molar Volume:

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