ME36

Ligand id: 1447

Name: ME36

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 14
Hydrogen bond donors 5
Rotatable bonds 8
Topological polar surface area 193.91
Molecular weight 747.48
XLogP 1.56
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
14-ethyl-6-[4-[ethyl(methyl)amino]-3-hydroxy-6-methyloxan-2-yl]oxy-7,12,13-trihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione
Synonyms
N-ethyl,N-methyl EM-A
Database Links
CAS Registry No. 110469-03-9 (source: Scifinder)
PubChem CID 14487390
Search Google for chemical match using the InChIKey DYYAPFZVDGCKCL-UHFFFAOYSA-N
Search Google for chemicals with the same backbone DYYAPFZVDGCKCL
Search UniChem for chemical match using the InChIKey DYYAPFZVDGCKCL-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone DYYAPFZVDGCKCL
Comments
This compound has complex stereochemistry with multiple stereocentres, as represented by the image assigned the CAS number listed above. We represent ME36 as a flat structure, and our link to PubChem matches our structure.