adenophostin A

Ligand Id: 4124
Ligand name adenophostin A

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 23
Hydrogen bond donors 10
Rotatable bonds 11
Topological polar surface area 387.71
Molecular weight 669.05
XLogP -8.75
No. Lipinski's rules broken 3

Molecular properties generated using the CDK


Classification
Compound class Synthetic organic
IUPAC Name
{[(2R,3R,4R,5R)-2-(6-amino-9H-purin-9-yl)-4-{[(2R,3R,4R,5R,6R)-3-hydroxy-6-(hydroxymethyl)-4,5-bis(phosphonooxy)oxan-2-yl]oxy}-5-(hydroxymethyl)oxolan-3-yl]oxy}phosphonic acid
Database Links
CAS Registry No. 149091-92-9 (source: Scifinder)
PubChem CID 123695
Search Google for chemical match using the InChIKey RENVITLQVBEFDT-MZQFDOALSA-N
Search Google for chemicals with the same backbone RENVITLQVBEFDT
Wikipedia Adenophostin
ZINC ZINC49937589