6,9-Thiaprostacyclin

(5Z)-5-[(3aR,4R,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]thiophen-2-ylidene]pentanoic acid

Also Known As: 6,9-Thiaprostacyclin|6,9-Thia-pgx|PGI2-S|S-PGI2|(5Z)-6,9-thiaprostacyclin|4-oxo-4-(1,2,4-triazol-4-ylamino)butanoic acid|2,4-Pentanedione, 3-[[(3-methoxyphenyl)amino]methylene]-|(5Z)-5-[(3aR,4R,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]thiophen-2-ylidene]pentanoic acid|Prosta-5,13-dien-1-oic acid, 6,9-epithio-11,15-dihydroxy, (5Z,9alpha,11alpha,13E,15S)-|(5Z,13E,15S)-6,9alpha-Epithio-11alpha,15-dihydroxyprosta-5,13-dien-1-oic acid|5-[(2Z,3aR,4R,5R,6aS)-5-hydroxy-4-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-hexahydro-2H-cyclopenta[b]thiophen-2-ylidene]pentanoic acid

Molecular Formula	C20H32O4S
Molecular Weight	368.20212 g/mol
LogP	4.1251
Topological Polar Surface Area	77.76 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	4
Rotatable Bonds	10
Exact Mass	368.20212
Monoisotopic Mass	368.20212
Heavy Atoms	25
Complexity	488.08783

Chemical Identifiers

CAS Number	64869-13-2
SMILES	CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1C/C(=C/CCCC(=O)O)/S2)O)O