Basic information
- CAS
15339-50-1- Standard SMILES
CC=NC(C(=O)[O-])C(C)O.CC=NC(C(=O)[O-])C(C)O.O.O.[Fe+2]- InChIKey
IWQQNDAAVPMDJR-UHFFFAOYSA-L- Molecular formula
- C12H24FeN2O8
- Average molar mass
- 380.17 g/mol
- Monoisotopic mass
- 380.088201
Overview
Ferrotrenine is an organonitrogen compound and an organooxygen compound. It is functionally related to an alpha-amino acid.
Names & identifiers
- Preferred name
- 2-(Ethylideneamino)-3-hydroxybutanoate;iron(2+);dihydrate
- IUPAC
- bis(2-(ethylideneamino)-3-hydroxybutanoate);iron(2+);dihydrate
Names & synonyms
Ferrotrenine (JAN/INN)SCHEMBL29944723CHEBI:31606NS00121779D016232-(ethylideneamino)-3-hydroxybutanoate;iron(2+);dihydrate
Database identifiers
- CAS
15339-50-1- PubChem CID
- 71870
- ChEBI
CHEBI:31606
Properties
Computed structural properties
- Topological polar surface area
- 147 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 138
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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