Protoconstipatic acid
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Basic information
- CAS
73036-29-0- Standard SMILES
C=C1C(=O)O[C@@H](CCCCCCCCCCCCC[C@H](C)O)[C@@H]1C(=O)O- InChIKey
UYUDMGMNHAKPEV-YTQUADARSA-N- Molecular formula
- C21H36O5
- Average molar mass
- 368.5 g/mol
- Monoisotopic mass
- 368.25627424
Overview
Protoconstipatic acid is a long-chain fatty alcohol.
Names & identifiers
- Preferred name
- Protoconstipatic acid
- IUPAC
- (2S,3R)-2-[(14S)-14-hydroxypentadecyl]-4-methylidene-5-oxooxolane-3-carboxylic acid
- English name
- protoconstipatic acid
- Molecular formula
- C21H36O5
- Molecular weight
- 368.50754
Names & synonyms
Protoconstipatic acid73036-29-0(2S,3R)-2-[(14S)-14-hydroxypentadecyl]-4-methylidene-5-oxooxolane-3-carboxylic acidDTXSID60223314(2S,3R)-2-((14S)-14-hydroxypentadecyl)-4-methylidene-5-oxooxolane-3-carboxylic acidRefChem:176673DTXCID60145805SCHEMBL31079630CHEBI:199262
Database identifiers
- CAS
73036-29-0- PubChem CID
- 194489
- DTXSID
DTXSID60223314- ChEBI
CHEBI:199262- Nikkaji
- J1.362.371F
Properties
Computed structural propertiesFilling in
- XLogP
- 6.1
- Topological polar surface area
- 83.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 15
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 446
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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