N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(2-nitroimidazol-1-yl)acetamide

HCID 433384

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Basic information

CAS: 81892-69-5
Standard SMILES: O=C(Cn1ccnc1[N+](=O)[O-])NC(CO)(CO)CO
InChIKey: AKUJIEWZTHKIAZ-UHFFFAOYSA-N
Molecular formula: C9H14N4O6
Average molar mass: 274.23 g/mol
Monoisotopic mass: 274.09133418

Names & identifiers

Preferred name: N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(2-nitroimidazol-1-yl)acetamide
IUPAC: N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(2-nitroimidazol-1-yl)acetamide

Names & synonyms

81892-69-5NSC328805N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(2-nitroimidazol-1-yl)acetamideDTXSID20330891NSC-328805N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(2-nitro-1H-imidazol-1-yl)acetamideDS-0028781H-IMIDAZOLE-1-ACETAMIDE,N-[2-HYDROXY-1,1-BIS(HYDROXYMETHYL)ETHYL]-2-NITRO-

Database identifiers

CAS: 81892-69-5
PubChem CID: 433384
DTXSID: DTXSID20330891
Nikkaji: J1.587.763D

Properties

Computed structural properties

XLogP: -2.8
Topological polar surface area: 153 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 7
Rotatable bonds: 6
Heavy atoms: 19
Formal charge: 0
Complexity: 321

Experimental & physicochemical properties

LogP-1.77

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Compound notes

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