5BrUTP

Ligand id: 1731

Name: 5BrUTP

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 17
Hydrogen bond donors 7
Rotatable bonds 8
Topological polar surface area 288.35
Molecular weight 561.88
XLogP -5.47
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Metabolite or derivative
IUPAC Name
[(2R,3S,4R,5R)-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
Synonyms
5-bromo-UTP
5-bromouridine triphosphate
bromouridine 5'-triphosphate
Database Links
CAS Registry No. 3398-50-3 (source: Scifinder)
PubChem CID 9872620
RCSB PDB Ligand BUP
Search Google for chemical match using the InChIKey IWFHOSULCAJGRM-UAKXSSHOSA-N
Search Google for chemicals with the same backbone IWFHOSULCAJGRM