[3H]HU-243

Ligand id: 735

Name: [3H]HU-243    

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 49.69
Molecular weight 388.3
XLogP 7.45
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(6aR,8S,9S,10aR)-9-(hydroxymethyl)-6,6-dimethyl-3-(2-methyloctan-2-yl)-8,9-ditritio-7,8,10,10a-tetrahydro-6aH-benzo[c]chromen-1-ol
Database Links
CAS Registry No. 140835-18-3 (source: Scifinder)
PubChem CID 3081854
Search Google for chemical match using the InChIKey MVEVPDCVOXJVBD-AENGYHINSA-N
Search Google for chemicals with the same backbone MVEVPDCVOXJVBD
Wikipedia HU-243
Comments
There is some ambiguity surrounding the exact chirality of this ligand. An alternative representation is CID 3081854.