N-Butyryl-deferoxamine
Basic information
- Standard SMILES
CCCC(=O)NCCCCCN(O)C(=O)CCC(=O)NCCCCCN(O)C(=O)CCC(=O)NCCCCCN(O)C(C)=O- InChIKey
BAYOMLNRWDSXOI-UHFFFAOYSA-N- Molecular formula
- C29H54N6O9
- Average molar mass
- 630.8 g/mol
- Monoisotopic mass
- 630.39522732
Names & identifiers
- Preferred name
- N-Butyryl-deferoxamine
- IUPAC
- N-[5-[acetyl(hydroxy)amino]pentyl]-N'-[5-[[4-[5-(butanoylamino)pentyl-hydroxyamino]-4-oxobutanoyl]amino]pentyl]-N'-hydroxybutanediamide
Names & synonyms
N-Butyryl-deferoxamineDTXSID101026343
Database identifiers
- PubChem CID
- 10100540
- DTXSID
DTXSID101026343
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 209 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 26
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 874
Experimental & physicochemical properties
LogP0.42
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Related reactions
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Compound notes
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