Enterobactin

Base Information

Chemical Name:Enterobactin
CAS No.:28384-96-5
Molecular Formula:C30H27 N3 O15
Molecular Weight:669.555
Hs Code.:
UNII:35C9R2N24F
DSSTox Substance ID:DTXSID40182617
Nikkaji Number:J17.543I
Wikipedia:Enterobactin
Wikidata:Q523354
Metabolomics Workbench ID:45322
ChEMBL ID:CHEMBL432995
Mol file:28384-96-5.mol

Synonyms:Enterobactin;Enterochelin

Suppliers and Price of Enterobactin

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Sigma-Aldrich
Enterobactin ≥98% (HPLC)
1mg
$ 283.00

American Custom Chemicals Corporation
ENTEROBACTIN 95.00%
5MG
$ 1897.16

Total 15 raw suppliers

Chemical Property of Enterobactin

Chemical Property:

Melting Point:202-203°
Boiling Point:1109.1°Cat760mmHg
PKA:7.46±0.35(Predicted)
Flash Point:624.6°C
PSA：298.05000
Density:1.72g/cm³
LogP:0.98340
Storage Temp.:?20°C
XLogP3:2.3
Hydrogen Bond Donor Count:9
Hydrogen Bond Acceptor Count:15
Rotatable Bond Count:6
Exact Mass:669.14421716
Heavy Atom Count:48
Complexity:1060

Purity/Quality:

97% ^*data from raw suppliers

Enterobactin ≥98% (HPLC) ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C(C(=O)OCC(C(=O)OCC(C(=O)O1)NC(=O)C2=C(C(=CC=C2)O)O)NC(=O)C3=C(C(=CC=C3)O)O)NC(=O)C4=C(C(=CC=C4)O)O
Isomeric SMILES:C1[C@@H](C(=O)OC[C@@H](C(=O)OC[C@@H](C(=O)O1)NC(=O)C2=C(C(=CC=C2)O)O)NC(=O)C3=C(C(=CC=C3)O)O)NC(=O)C4=C(C(=CC=C4)O)O

Technology Process of Enterobactin

There total 17 articles about Enterobactin which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 99.0%

: 88195-64-6
Hexa-O-benzylenterochelin

: 28384-96-5
L-enterobactin

Guidance literature:: With palladium on activated charcoal; hydrogen; In ethanol; ethyl acetate; for 24h;
DOI:10.1002/anie.201603921

Reference yield:

: 104530-71-4
(3S,7S,11S)-3,7,11-triamino-1,5,9-trioxacyclodecane-2,6,10-trione trihydrochloride

: 28384-96-5
L-enterobactin

Guidance literature:: Multi-step reaction with 2 steps

1: Et₃N

2: H₂ / Pd/C

With hydrogen; triethylamine; palladium on activated charcoal;
DOI:10.1016/S0040-4039(96)02452-5

Reference yield:

: 88109-07-3
tris(N-trityl-L-serine) trilactone

: 28384-96-5
L-enterobactin

Guidance literature:: Multi-step reaction with 3 steps

1: HCl / ethanol

2: Et₃N

3: H₂ / Pd/C

With hydrogenchloride; hydrogen; triethylamine; palladium on activated charcoal; In ethanol;
DOI:10.1016/S0040-4039(96)02452-5