1,2-Dideoxy-1-(5-fluoro-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-beta-D-erythro-pentofuranuronamide 3-acetate

HCID 150623

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Basic information

CAS: 54918-12-6
Standard SMILES: CC(=O)O[C@H]1C[C@H](n2cc(F)c(=O)[nH]c2=O)O[C@@H]1C(N)=O
InChIKey: HHLPCDUTBGCJGS-RNJXMRFFSA-N
Molecular formula: C11H12FN3O6
Average molar mass: 301.23 g/mol
Monoisotopic mass: 301.07101327

Names & identifiers

Preferred name: 1,2-Dideoxy-1-(5-fluoro-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-beta-D-erythro-pentofuranuronamide 3-acetate
IUPAC: [(2S,3S,5R)-2-carbamoyl-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate

Names & synonyms

1,2-Dideoxy-1-(5-fluoro-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-beta-D-erythro-pentofuranuronamide 3-acetate54918-12-6CHEMBL3250214beta-D-erythro-Pentofuranuronamide, 1,2-dideoxy-1-(5-fluoro-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-, 3-acetate

Database identifiers

CAS: 54918-12-6
PubChem CID: 150623
ChEMBL: CHEMBL3250214

Properties

Computed structural properties

XLogP: -1.4
Topological polar surface area: 128 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 7
Rotatable bonds: 4
Heavy atoms: 21
Formal charge: 0
Complexity: 548

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