Misoprostol acid

7-[3-hydroxy-2-[(E)-4-hydroxy-4-methyloct-1-enyl]-5-oxocyclopentyl]heptanoic acid

Also Known As: Misoprostol acid|Misoprostol (free acid)|(+/-)-15-DEOXY-[16RS]-16-HYDROXY-16-METHYLPROSTAGLANDIN E1|7-[3-hydroxy-2-[(E)-4-hydroxy-4-methyloct-1-enyl]-5-oxocyclopentyl]heptanoic acid|Prost-13-en-1-oic acid, 11,16-dihydroxy-16-methyl-9-oxo-, (11alpha,13E )-(+-)-|7-[3-hydroxy-2-(4-hydroxy-4-methyloct-1-en-1-yl)-5-oxocyclopentyl]heptanoic acid|7-[3-hydroxy-2-[(E)-4-hydroxy-4-methyl-oct-1-enyl]-5-oxo-cyclopentyl]heptanoic acid|Prost-13-en-1-oic acid, 11,16-dihydroxy-16-methyl-9-oxo-, (11alpha,13E)-(+-)-

Molecular Formula	C21H36O5
Molecular Weight	368.2563 g/mol
LogP	3.8652
Topological Polar Surface Area	94.83 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	4
Rotatable Bonds	13
Exact Mass	368.2563
Monoisotopic Mass	368.2563
Heavy Atoms	26
Complexity	469.02188

Chemical Identifiers

CAS Number	66792-31-2
SMILES	CCCCC(C)(C/C=C/C1C(CC(=O)C1CCCCCCC(=O)O)O)O