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
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.
Database Links
CAS Registry No. 110469-03-9 (source: Scifinder)
GtoPdb PubChem SID 135652703
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