Isomontanic acid
Basic information
- CAS
5638-08-4- Standard SMILES
CC(C)CCCCCCCCCCCCCCCCCCCCCCCCC(=O)O- InChIKey
GCUBDUZUXAQLEY-UHFFFAOYSA-N- Molecular formula
- C28H56O2
- Average molar mass
- 424.7 g/mol
- Monoisotopic mass
- 424.42803102
Overview
26-methylheptacosanoic acid is a methyl-branched fatty acid that is heptacosanoic acid substituted by a methyl group at position 26. It is a very long-chain fatty acid, a branched-chain saturated fatty acid and a methyl-branched fatty acid. It is functionally related to a heptacosanoic acid.
Names & identifiers
- Preferred name
- Isomontanic acid
- IUPAC
- 26-methylheptacosanoic acid
Names & synonyms
Isomontanic acid26-methylheptacosanoic acid26-methyl-heptacosanoic acid5638-08-4SCHEMBL3700258CHEBI:84907DTXSID90415225LMFA01020026FA(28:0)Q27158171
Database identifiers
- CAS
5638-08-4- PubChem CID
- 5282610
- DTXSID
DTXSID90415225- ChEBI
CHEBI:84907
Properties
Computed structural properties
- XLogP
- 12.6
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 25
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 338
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Branched fatty acids [FA0102]
Collision Cross Section207.6 Ų [M-H]- [CCS Type: TIMS; Method: single field calibrated]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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