5-fluorouridine   Click here for help

GtoPdb Ligand ID: 4614

PDB Ligand
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 2
Topological polar surface area 124.78
Molecular weight 262.06
XLogP -1.26
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OCC1OC(C(C1O)O)n1cc(F)c(=O)[nH]c1=O
Isomeric SMILES OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cc(F)c(=O)[nH]c1=O
InChI InChI=1S/C9H11FN2O6/c10-3-1-12(9(17)11-7(3)16)8-6(15)5(14)4(2-13)18-8/h1,4-6,8,13-15H,2H2,(H,11,16,17)/t4-,5-,6-,8-/m1/s1
InChI Key FHIDNBAQOFJWCA-UAKXSSHOSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoro-1,2,3,4-tetrahydropyrimidine-2,4-dione
Database Links Click here for help
CAS Registry No. 316-46-1 (source: Scifinder)
ChEBI CHEBI:40154
ChEMBL Ligand CHEMBL54918
GtoPdb PubChem SID 178101334
PubChem CID 9427
RCSB PDB Ligand 5UD
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