uridine diphosphate   Click here for help

GtoPdb Ligand ID: 1749

Abbreviated name: UDP
Synonyms: 5'-UDP | uridine 5'-diphosphate
PDB Ligand
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 12
Hydrogen bond donors 6
Rotatable bonds 6
Topological polar surface area 237.46
Molecular weight 404
XLogP -4.31
No. Lipinski's rules broken 2
SMILES / InChI / InChIKey
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Canonical SMILES OC1C(COP(=O)(OP(=O)(O)O)O)OC(C1O)n1ccc(=O)[nH]c1=O
Isomeric SMILES O[C@@H]1[C@@H](COP(=O)(OP(=O)(O)O)O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O
InChI InChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
InChI Key XCCTYIAWTASOJW-XVFCMESISA-N
Classification Click here for help
Compound class Metabolite or derivative
IUPAC Name Click here for help
[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
Synonyms Click here for help
5'-UDP | uridine 5'-diphosphate
Database Links Click here for help
BindingDB Ligand 50118239
CAS Registry No. 58-98-0
ChEBI CHEBI:17659
ChEMBL Ligand CHEMBL130266
DrugBank Ligand DB03435
GtoPdb PubChem SID 135651583
PubChem CID 6031
RCSB PDB Ligand UDP
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Wikipedia Uridine_diphosphate