8-acetyl-12(S)-hydroxy-10-heptadecynoic acid

HCID 22801035
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Basic information

Standard SMILES
CCCCC[C@H](O)C#CCC(CCCCCCC(=O)O)C(C)=O
InChIKey
CSDUHORRDVJALD-ZVAWYAOSSA-N
Molecular formula
C19H32O4
Average molar mass
324.5 g/mol
Monoisotopic mass
324.2300595

Names & identifiers

Preferred name
8-acetyl-12(S)-hydroxy-10-heptadecynoic acid
IUPAC
(12S)-8-acetyl-12-hydroxyheptadec-10-ynoic acid

Names & synonyms

CHEMBL3248440SCHEMBL11615773CSDUHORRDVJALD-ZVAWYAOSSA-N8-acetyl-12(S)-hydroxy-10-heptadecynoic acid8-acetyl-12-(S)-hydroxy-10-heptadecynoic acid

Database identifiers

PubChem CID
22801035
ChEMBL
CHEMBL3248440

Properties

Computed structural properties

XLogP
4
Topological polar surface area
74.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
13
Heavy atoms
23

Related reactions

6 records
New reaction record

Compound notes

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