Basic information
- CAS
624722-08-3- Standard SMILES
CCCCC/C=C/C/C=C/CCCCCCCCCCCC(=O)O- InChIKey
HVGRZDASOHMCSK-AVQMFFATSA-N- Molecular formula
- C22H40O2
- Average molar mass
- 336.6 g/mol
- Monoisotopic mass
- 336.30283051
Overview
13,16-docosadienoic acid is a very long-chain fatty acid.
Names & identifiers
- Preferred name
- 13,16-Docosadienoic acid
- IUPAC
- (13E,16E)-docosa-13,16-dienoic acid
- English name
- 13,16-Docosadienoic acid, (13E,16E)-
- Molecular formula
- C22H40O2
- Molecular weight
- 336.55
Names & synonyms
13,16-Docosadienoic acid7370-49-213-cis,16-cis-Docosadienoic acid13,16-cis,cis-docosadienoic acid13,16-DADTXSID001009342RefChem:78380UZ4AF93EBNDTXCID601436169(13E,16E)-docosa-13,16-dienoic acidDocosadienoate (22:2n6)NEL3BFU3S4
Show more names
All Trans 13,16-Docosadienoic Acid
SCHEMBL466012CHEBI:145970LMFA01030132(13E,16E)-13,16-Docosadienoic acid13,16-Docosadienoic acid, (13E,16E)-624722-08-3
Database identifiers
- CAS
624722-08-3、7370-49-2- PubChem CID
- 5282807
- DTXSID
DTXSID001009342- ChEBI
CHEBI:145970- UNII
- NEL3BFU3S4
- Nikkaji
- J367.011B
Properties
Computed structural properties
- XLogP
- 8
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 18
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 318
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Unsaturated fatty acids [FA0103]
Physicochemical properties
- Boiling point
- 456.3 · 456.3±14.0 °C(Predicted)
- Density
- 0.9 · 0.900±0.06 g/cm3(Predicted)
- pka
- 4.78 · 4.78±0.10(Predicted)
- FDA UNII
- 3 BFU3S4 · NEL3BFU3S4
Chemistry & industry
Suppliers1 total
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Additional notes
DefinitionChEBI: 13,16-docosadienoic acid is a very long-chain fatty acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…