misoprostol

methyl 7-[(1R,2R,3R)-3-hydroxy-2-(4-hydroxy-4-methyloct-1-enyl)-5-oxocyclopentyl]heptanoate

Also Known As: misoprostol|Misoprostol (SC-29333)|CTK8G1129|Q27166232|(+/-)-methyl 11alpha,16-dihydroxy-16-methyl-9-oxoprost-13-en-1-oate|7-[(1R,2R,3R)-3-hydroxy-2-(4-hydroxy-4-methyloct-1-enyl)-5-oxocyclopentyl]heptanoic acid methyl ester|Prost-13-en-1-oic acid, 11,16-dihydroxy-16-methyl-9-oxo-, methyl ester, (11|A,13Z)-( inverted exclamation markA)-

Molecular Formula	C22H38O5
Molecular Weight	382.2719 g/mol
LogP	3.95
Topological Polar Surface Area	83.83 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	13
Exact Mass	382.2719
Heavy Atoms	27
Complexity	483.1

Chemical Identifiers

CAS Number	59122-46-2
SMILES	CCCCC(C)(CC=C[C@H]1[C@@H](CC(=O)[C@@H]1CCCCCCC(=O)OC)O)O