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Enterobactin

Molecular FormulaC₃₀H₂₇N₃O₁₅
Average mass669.547 Da
Monoisotopic mass669.144226 Da
ChemSpider ID31543

- 3 of 3 defined stereocentres

More details:

Featured data source

Names and Synonyms
Database ID(s)

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''-(2,6,10-Trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl)tris[2,3-dihydroxy]benzamide

n,n',n''-(2,6,10-trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl)tris-o-pyrocatechuamide

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]

(2,3-dihydroxybenzoylserine)₃

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(3S-(3R*,7R*,11R*))-N,N',N''-(2,6,10-trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl)tris(2,3-dihydroxybenzamide)

1420020 [Beilstein]

Benzamide, N,N',N''-(2,6,10-trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl)tris(2,3-dihydroxy-, (3S-(3R*,7R*,11R*))-

Benzamide, N,N',N''-(2,6,10-trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl)tris[2,3-dihydroxy-, [3S-(3R*,7R*,11R*)]-

Benzamide, N,N',N''-[(3S,7S,11S)-2,6,10-trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl]tris[2,3-dihydroxy- (9CI)

CHEBI:28855

Cyclotris(N-2,3-dihydroxybenzoyl-L-seryl)

EB4

Enterochelin

Enterochellin

H6ent

https://www.ebi.ac.uk/chembl/compound_reportcard/CHEMBL432995/

MFCD16876395

N,N',N''-((3S,7S,11S)-2,6,10-Trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl)tris(2,3-dihydroxybenzamide)

N-[(3S,7S,11S)-7,11-bis(2,3-dihydroxybenzamido)-2,6,10-trioxo-1,5,9-trioxacyclododecan-3-yl]-2,3-dihydroxybenzamide

N-[(3S,7S,11S)-7,11-bis[(2,3-dihydroxybenzene)amido]-2,6,10-trioxo-1,5,9-trioxacyclododecan-3-yl]-2,3-dihydroxybenzamide

N-[(3S,7S,11S)-7,11-bis[(2,3-dihydroxybenzoyl)amino]-2,6,10-triketo-1,5,9-trioxacyclododec-3-yl]-2,3-dihydroxy-benzamide

N-[(3S,7S,11S)-7,11-bis[(2,3-dihydroxybenzoyl)amino]-2,6,10-trioxo-1,5,9-trioxacyclododec-3-yl]-2,3-dihydroxybenzamide

N-[(3S,7S,11S)-7,11-bis[(2,3-dihydroxybenzoyl)amino]-2,6,10-trioxo-1,5,9-trioxacyclododec-3-yl]-2,3-dihydroxy-benzamide

N-[(3S,7S,11S)-7,11-bis[(2,3-dihydroxyphenyl)carbonylamino]-2,6,10-trioxo-1,5,9-trioxacyclododec-3-yl]-2,3-dihydroxy-benzamide

N-[(3S,7S,11S)-7,11-bis[[(2,3-dihydroxyphenyl)-oxomethyl]amino]-2,6,10-trioxo-1,5,9-trioxacyclododec-3-yl]-2,3-dihydroxybenzamide

N-[7,11-bis[(2,3-dihydroxybenzoyl)amino]-2,6,10-trioxo-1,5,9-trioxacyclododec-3-yl]-2,3-dihydroxybenzamide

o-Pyrocatechuamide, N,N',N''-(2,6,10-trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl)tris- (8CI)

Tri-(2,3-dihydroxy-N-benzoyl-L-serine)-ester

Tri-(N-(2,3-dihydroxybenzoyl)-L-serine)-ester

Less...

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

35C9R2N24F [DBID]

C05821 [DBID]

nchembio.2007.23-comp5 [DBID]

UNII:35C9R2N24F [DBID]

UNII-35C9R2N24F [DBID]

Experimental data
Predicted - ACD/Labs
Predicted - ChemAxon

Miscellaneous

Chemical Class:

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

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

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Enterobactin

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