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1185-57-5 molecular structure
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iron(3+) ion ammonium 2-hydroxypropane-1,2,3-tricarboxylate

ChemBase ID: 125822
Molecular Formular: C6H9FeNO7+
Molecular Mass: 262.98316
Monoisotopic Mass: 262.97283913
SMILES and InChIs

SMILES:
[Fe+3].O=C([O-])CC(O)(C(=O)[O-])CC(=O)[O-].[NH4+]
Canonical SMILES:
[O-]C(=O)C(CC(=O)[O-])(CC(=O)[O-])O.[NH4+].[Fe+3]
InChI:
InChI=1S/C6H8O7.Fe.H3N/c7-3(8)1-6(13,5(11)12)2-4(9)10;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;1H3/q;+3;/p-2
InChIKey:
FRHBOQMZUOWXQL-UHFFFAOYSA-L

Cite this record

CBID:125822 http://www.chembase.cn/molecule-125822.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
iron(3+) ion ammonium 2-hydroxypropane-1,2,3-tricarboxylate
IUPAC Traditional name
iron(3+) ion ammonium citrate
Synonyms
Ferric ammonium citrate
Ammonium Iron(III) Citrate
Ammonium ferric citrate
Iron ammonium citrate
Prothoate+
Ammonium ferric citrate
CAS Number
1185-57-5
EC Number
214-686-6
PubChem SID
162220168
PubChem CID
3080636
ATC CODE
V08CA07
CHEMBL
1200460
Chemspider ID
2338386
Wikipedia Title
Ammonium_ferric_citrate

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.0479515  H Acceptors
H Donor LogD (pH = 5.5) -4.949584 
LogD (pH = 7.4) -9.468992  Log P -1.3226875 
Molar Refractivity 68.1352 cm3 Polarizability 14.119506 Å3
Polar Surface Area 140.62 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Bioassay(PubChem)
Apperance
Reddish-brown powder expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia

REFERENCES

REFERENCES

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PATENTS

PATENTS

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