2-Hydroxyheptadecanoic acid
Basic information
- CAS
25022-78-0- Standard SMILES
CCCCCCCCCCCCCCCC(O)C(=O)O- InChIKey
KUZABABLVHWUGR-UHFFFAOYSA-N- Molecular formula
- C17H34O3
- Average molar mass
- 286.4 g/mol
- Monoisotopic mass
- 286.25079494
Overview
2-hydroxyheptadecanoic acid is a 2-hydroxy fatty acid that is heptadecanoic acid (margaric acid) substituted by a hydroxy group at position 2. It is functionally related to a heptadecanoic acid.
Names & identifiers
- Preferred name
- 2-Hydroxyheptadecanoic acid
- IUPAC
- 2-hydroxyheptadecanoic acid
- English name
- 2-Hydroxyheptadecanoic acid
- Molecular formula
- C17H34O3
- Molecular weight
- 286.45006
Names & synonyms
2-Hydroxyheptadecanoic acid2-hydroxy-heptadecanoic acid25022-78-02-hydroxymargaric acid28983-49-5SCHEMBL506394SCHEMBL1006394CHEBI:84854DTXSID10415247KUZABABLVHWUGR-UHFFFAOYSA-NLMFA01050052Q27158122
Database identifiers
- CAS
25022-78-0、28983-49-5- PubChem CID
- 5282906
- DTXSID
DTXSID10415247- ChEBI
CHEBI:84854- Nikkaji
- J297.089I
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 15
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 216
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Hydroxy fatty acids [FA0105]
Chemistry & industry
Additional notes
DefinitionChEBI: 2-hydroxyheptadecanoic acid is a 2-hydroxy fatty acid that is heptadecanoic acid (margaric acid) substituted by a hydroxy group at position 2. It is functionally related to a heptadecanoic acid.
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