TNP-ATP

Ligand id: 4324

Name: TNP-ATP

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 14
Hydrogen bond donors 3
Rotatable bonds 11
Topological polar surface area 422.04
Molecular weight 712.94
XLogP -5.57
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
6-amino-9-[4'-({[hydroxy({[hydroxy(phosphonatooxy)phosphoryl]oxy})phosphoryl]oxy}methyl)-2,4,6-trinitrospiro[cyclohexane-1,2'-furo[3,4-d][1,3]dioxole]-2,4-dien-6'-yl]-5H-1,3,7,9$l^{5}-purin-9-ylium
Synonyms
2',3'-O-(2,4,6-trinitrophenyl)-ATP
Database Links
PubChem CID 3035228
Search Google for chemical match using the InChIKey NHXFSKZBEIIARS-UHFFFAOYSA-M
Search Google for chemicals with the same backbone NHXFSKZBEIIARS
Search UniChem for chemical match using the InChIKey NHXFSKZBEIIARS-UHFFFAOYSA-M
Search UniChem for chemicals with the same backbone NHXFSKZBEIIARS