N,Na(2)-1,6-Hexanediylbis[2-(hydroxyimino)-3-oxobutanamide]

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Basic information

CAS: 78553-71-6
Standard SMILES: C/C(O)=C(/N=O)C(=O)NCCCCCCNC(=O)/C(N=O)=C(/C)O
InChIKey: ZMDPPZILJHRFHQ-DSOJMZEYSA-N
Molecular formula: C14H22N4O6
Average molar mass: 342.35 g/mol
Monoisotopic mass: 342.15393443

Names & identifiers

Preferred name: N,Na(2)-1,6-Hexanediylbis[2-(hydroxyimino)-3-oxobutanamide]
IUPAC: (Z)-3-hydroxy-N-[6-[[(E)-3-hydroxy-2-nitrosobut-2-enoyl]amino]hexyl]-2-nitrosobut-2-enamide

Names & synonyms

DTXSID80120057878553-71-6AKOS024367212ST51001027N,N'-(Hexane-1,6-diyl)bis[2-(hydroxyimino)-3-oxobutanamide]N,Na(2)-1,6-Hexanediylbis[2-(hydroxyimino)-3-oxobutanamide]2-(hydroxyimino)-N-[6-(2-(hydroxyimino)-3-oxobutanoylamino)hexyl]-3-oxobutanam ide

Database identifiers

CAS: 78553-71-6
PubChem CID: 136199788
DTXSID: DTXSID801200578

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 158 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 8
Rotatable bonds: 9
Heavy atoms: 24
Formal charge: 0
Complexity: 493

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Compound notes

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