(11R,12S,13E,15S,17S)-9-butyloxy-11,15-dihydroxy-17,20-dimethyl-7-thiaprosta-8,13-dienoic acid

HCID 22883777
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Basic information

Standard SMILES
CCCCOC1=C(SCCCCCC(=O)O)[C@@H](/C=C/[C@@H](O)C[C@@H](C)CCCC)[C@H](O)C1
InChIKey
LGERBHGGPVSKNC-RKUKFWATSA-N
Molecular formula
C25H44O5S
Average molar mass
456.7 g/mol

Names & identifiers

Preferred name
(11R,12S,13E,15S,17S)-9-butyloxy-11,15-dihydroxy-17,20-dimethyl-7-thiaprosta-8,13-dienoic acid
IUPAC
6-[(4R,5S)-2-butoxy-4-hydroxy-5-[(E,3S,5S)-3-hydroxy-5-methylnon-1-enyl]cyclopenten-1-yl]sulfanylhexanoic acid

Names & synonyms

SCHEMBL6651212LGERBHGGPVSKNC-RKUKFWATSA-N(11R,12S,13E,15S,17S)-9-butyloxy-11,15-dihydroxy-17,20-dimethyl-7-thiaprosta-8,13-dienoic acid

Database identifiers

PubChem CID
22883777

Properties

Computed structural properties

XLogP
5.4
Topological polar surface area
112 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
6
Rotatable bonds
18
Heavy atoms
31

Related reactions

1 records
New reaction record

Linked notes

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