Basic information
- CAS
14176-13-7- Standard SMILES
CCCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)O- InChIKey
IFYDZTDBJZWEPK-UHFFFAOYSA-N- Molecular formula
- C26H52O3
- Average molar mass
- 412.7 g/mol
- Monoisotopic mass
- 412.39164552
Overview
2-hydroxyhexacosanoic acid is a very long-chain fatty acid that is hexacosanoic (cerotic) acid substituted at position 2 by a hydroxy group. It is a 2-hydroxy fatty acid and a very long-chain fatty acid. It is functionally related to a hexacosanoic acid. It is a conjugate acid of a 2-hydroxyhexacosanoate.
Names & identifiers
- Preferred name
- 2-Hydroxyhexacosanoic acid
- IUPAC
- 2-hydroxyhexacosanoic acid
- English name
- 2-hydroxyhexacosanoic acid
- Molecular formula
- C26H52O3
- Molecular weight
- 412.69
Names & synonyms
2-Hydroxyhexacosanoic acid14176-13-72-hydroxy-hexacosanoic acid2-hydroxycerotic acidHexacosanoic acid, 2-hydroxy-EINECS 238-029-8alpha-hydroxycerotic acidalpha-hydroxyhexacosanoic acidSCHEMBL337352CHEBI:76986DTXSID60931189IFYDZTDBJZWEPK-UHFFFAOYSA-N
Show more names
LMFA01050218NS00052694Q27146499
Database identifiers
- CAS
14176-13-7- PubChem CID
- 85692
- DTXSID
DTXSID60931189- ChEBI
CHEBI:76986- EC Number
- 238-029-8
- Nikkaji
- J216.894D
Properties
Computed structural properties
- XLogP
- 11.8
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 24
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 330
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Hydroxy fatty acids [FA0105]
Physicochemical properties
- Melting point
- 103 · 103-105 °C
- Boiling point
- 532.7 · 532.7±23.0 °C(Predicted)
- Density
- 0.916 · 0.916±0.06 g/cm3(Predicted)
- pka
- 3.86 · 3.86±0.21(Predicted)
- LogP
- 11.52 · 11.520 (est)
Chemistry & industry
Suppliers2 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Additional notes
DefinitionChEBI: A very long-chain fatty acid that is cerotic (hexacosanoic) acid substituted at position 2 by a hydroxy group.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…