1-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoro-4-(hydroxyamino)pyrimidin-2-one

HCID 353012

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Basic information

CAS: 13491-44-6
Standard SMILES: O=c1nc(NO)c(F)cn1C1OC(CO)C(O)C1O
InChIKey: FBGTUUWFXKRMTO-UHFFFAOYSA-N
Molecular formula: C9H12FN3O6
Average molar mass: 277.21 g/mol
Monoisotopic mass: 277.07101327

Names & identifiers

Preferred name: 1-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoro-4-(hydroxyamino)pyrimidin-2-one
IUPAC: 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoro-4-(hydroxyamino)pyrimidin-2-one

Names & synonyms

13491-44-6NSC5298531-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoro-4-(hydroxyamino)pyrimidin-2-oneSCHEMBL20668768DTXSID50326525NSC-5298535-Fluoro-4-(hydroxyamino)-1-pentofuranosylpyrimidin-2(1H)-one

Database identifiers

CAS: 13491-44-6
PubChem CID: 353012
DTXSID: DTXSID50326525

Properties

Computed structural properties

XLogP: -2.2
Topological polar surface area: 135 Å²
Hydrogen bond donors: 5
Hydrogen bond acceptors: 7
Rotatable bonds: 3
Heavy atoms: 19
Formal charge: 0
Complexity: 442

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