EM-523

Ligand id: 1445

Name: EM-523

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 13
Hydrogen bond donors 4
Rotatable bonds 8
Topological polar surface area 165.84
Molecular weight 729.47
XLogP 2.45
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(1S,2R,3S,4S,5R,8R,9S,10R,11R)-8-ethyl-2-[(2S,3R,4S,6R)-4-(ethyl-methylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-9,10-dihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-1,3,5,9,11,13-hexamethyl-7,15-dioxabicyclo[10.2.1]pentadec-12-en-6-one
Synonyms
N-ethyl,N-methyl EM-A enolether | erythromycin analogue (523)
Database Links
GtoPdb PubChem SID 135652681
PubChem CID 184178
Search Google for chemical match using the InChIKey UTTLXGDLSXWDJI-OTELOYJSSA-N
Search Google for chemicals with the same backbone UTTLXGDLSXWDJI
Search UniChem for chemical match using the InChIKey UTTLXGDLSXWDJI-OTELOYJSSA-N
Search UniChem for chemicals with the same backbone UTTLXGDLSXWDJI
Comments
Analogue of the natural product erythromycin A