Basic information
- CAS
616-01-3- Standard SMILES
CCCCCCCCC(O)C(O)CCCCCCCCCCCC(=O)O- InChIKey
KXWWULNBUIUDOT-UHFFFAOYSA-N- Molecular formula
- C22H44O4
- Average molar mass
- 372.6 g/mol
- Monoisotopic mass
- 372.32395988
Overview
13,14-dihydroxy-docosanoic acid is a very long-chain fatty acid.
Names & identifiers
- Preferred name
- Docosanoic acid, 13,14-dihydroxy-
- IUPAC
- 13,14-dihydroxydocosanoic acid
- English name
- 13,14-Dihydroxydocosanoic acid
- Molecular formula
- C22H44O4
- Molecular weight
- 372.58
Names & synonyms
13,14-Dihydroxydocosanoic acid616-01-3Docosanoic acid, 13,14-dihydroxy-DTXSID90883243RefChem:590043DTXCID40102279013,14-dihydroxybehenic acid13,14-dihydroxy-docosanoic acidSCHEMBL1275084CHEBI:188210KXWWULNBUIUDOT-UHFFFAOYSA-NLMFA01050211
Show more names
G79590
Database identifiers
- CAS
616-01-3- PubChem CID
- 102450
- DTXSID
DTXSID90883243- ChEBI
CHEBI:188210- Nikkaji
- J21.878B
Properties
Computed structural properties
- XLogP
- 7.3
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 20
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 307
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Hydroxy fatty acids [FA0105]
Physicochemical properties
- EPA Substance Registry System
- 13 · 13,14-Dihydroxydocosanoic acid (616-01-3)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationDocosanoic acid, 13,14-dihydroxy-: INACTIVE
Upstream & downstream products
Downstream products
Suppliers2 total
北京亿思研科技开发中心010-56645598 13366904824 · [email protected]
江苏艾康生物医药研发有限公司17714375163 · [email protected]
Additional notes
DefinitionChEBI: 13,14-dihydroxy-docosanoic acid is a very long-chain fatty acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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