NAD

Ligand id: 2451

Name: NAD

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 20
Hydrogen bond donors 7
Rotatable bonds 11
Topological polar surface area 340.71
Molecular weight 663.11
XLogP -5.46
No. Lipinski's rules broken 3

Molecular properties generated using the CDK

Classification
Compound class Metabolite or derivative
IUPAC Name
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate
Synonyms
NAD+
Database Links
CAS Registry No. 53-84-9 (source: Scifinder)
ChEBI CHEBI:44215
ChEMBL Ligand CHEMBL1234613
PubChem CID 5892
RCSB PDB Ligand NAD, NAJ
Search Google for chemical match using the InChIKey BAWFJGJZGIEFAR-NNYOXOHSSA-N
Search Google for chemicals with the same backbone BAWFJGJZGIEFAR
Search UniChem for chemical match using the InChIKey BAWFJGJZGIEFAR-NNYOXOHSSA-N
Search UniChem for chemicals with the same backbone BAWFJGJZGIEFAR
Wikipedia Nicotinamide_adenine_dinucleotide