A3P5PS

Ligand id: 1719

Name: A3P5PS

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 18
Hydrogen bond donors 6
Rotatable bonds 8
Topological polar surface area 303.97
Molecular weight 506.99
XLogP -6.42
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-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methyl sulfo hydrogen phosphate
Synonyms
3'-phosphoadenosine-5'-phosphosulfate
adenosine-3'-phosphate-5' -phosphosulfate
phosphoadenosine phosphosulfate (PAPS)
Database Links
CAS Registry No. 482-67-7 (source: Scifinder)
ChEBI CHEBI:17980
PubChem CID 10214
RCSB PDB Ligand PPS
Search Google for chemical match using the InChIKey GACDQMDRPRGCTN-KQYNXXCUSA-N
Search Google for chemicals with the same backbone GACDQMDRPRGCTN
Wikipedia 3'-Phosphoadenosine-5'-phosphosulfate