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

HCID 22883802
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Basic information

Standard SMILES
CCCCOC1=C(SCCCCCC(=O)OC)[C@@H](/C=C/[C@@H](O)C[C@@H](C)CCCC)[C@H](O)C1
InChIKey
WBXZTKZGXZNXQZ-LCGRJMSCSA-N
Molecular formula
C26H46O5S
Average molar mass
470.7 g/mol
Monoisotopic mass
470.30659574

Names & identifiers

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

Names & synonyms

SCHEMBL8617550WBXZTKZGXZNXQZ-LCGRJMSCSA-NMethyl(11R,12S,13E,15S,17S)-9-butyloxy-11,15-dihydroxy-17,20-dimethyl-7-thiaprosta-8,13-dienoate

Database identifiers

PubChem CID
22883802

Properties

Computed structural properties

XLogP
5.8
Topological polar surface area
101 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
19
Heavy atoms
32

Related reactions

1 records
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Linked notes

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