ChemSpider 2D Image | Enterobactin | C30H27N3O15


  • Molecular FormulaC30H27N3O15
  • Average mass669.547 Da
  • Monoisotopic mass669.144226 Da
  • ChemSpider ID31543
  • defined stereocentres - 3 of 3 defined stereocentres

More details:

Featured data source

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

28384-96-5 [RN]
Benzamide, N,N',N''-[(3S,7S,11S)-2,6,10-trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl]tris[2,3-dihydroxy- [ACD/Index Name]
benzenecarboximidic acid, N,N',N''-[(3S,7S,11S)-2,6,10-trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl]tris[2,3-dihydroxy-
Enterobactin [Wiki]
N,N',N''-[(3S,7S,11S)-2,6,10-Trioxo-1,5,9-trioxacyclododecan-3,7,11-triyl]tris(2,3-dihydroxybenzamid) [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-dihydroxybenzamide) [ACD/IUPAC Name]
N,N',N''-[(3S,7S,11S)-2,6,10-Trioxo-1,5,9-trioxacyclododécane-3,7,11-triyl]tris(2,3-dihydroxybenzamide) [French] [ACD/IUPAC Name]

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

35C9R2N24F [DBID]
C05821 [DBID]
nchembio.2007.23-comp5 [DBID]
  • Miscellaneous
    • Chemical Class:

      A siderophore produced by certain members of Enterobacteriaceae, e.g. <ital>Escherichia coli</ital> and <ital>Salmonella</ital>. ChEBI CHEBI:28855

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1109.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 168.7±3.0 kJ/mol
Flash Point: 624.6±34.3 °C
Index of Refraction: 1.732
Molar Refractivity: 155.7±0.4 cm3
#H bond acceptors: 18
#H bond donors: 9
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: -0.13
ACD/LogD (pH 5.5): 0.34
ACD/BCF (pH 5.5): 1.07
ACD/KOC (pH 5.5): 36.35
ACD/LogD (pH 7.4): 0.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 26.13
Polar Surface Area: 288 Å2
Polarizability: 61.7±0.5 10-24cm3
Surface Tension: 111.6±5.0 dyne/cm
Molar Volume: 389.1±5.0 cm3

Click to predict properties on the Chemicalize site