Basic information
- CAS
23066-89-9- Standard SMILES
CCCCCCCCCC(O)CCCC(O)C(O)CCCCCCC(=O)O- InChIKey
JHAAEJPYWGVVFN-UHFFFAOYSA-N- Molecular formula
- C22H44O5
- Average molar mass
- 388.6 g/mol
- Monoisotopic mass
- 388.3188745
Overview
fumonisin B1 inhibits the accumulation of the above acid in Rhodotorula sp. YB 2501 cultures
Names & identifiers
- Preferred name
- 8,9,13-Trihydroxydocosanoic acid
- IUPAC
- 8,9,13-trihydroxydocosanoic acid
- English name
- 8,9,13-trihydroxydocosanoic acid
- Molecular formula
- C22H44O5
- Molecular weight
- 388.58
Names & synonyms
8,9,13-Trihydroxydocosanoic acid23066-89-98,9,13-ThdaDTXSID20945742RefChem:106764DTXCID801374052NSC179482SCHEMBL78730608,9,13-trihy-droxydocosanoic acidDocasanoic acid, 8,9,13-trihydroxy-NSC 179482NSC-179482
Show more names
Docosanoic acid, 8,9,13-trihydroxy-
Database identifiers
- CAS
23066-89-9- PubChem CID
- 99112
- DTXSID
DTXSID20945742
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 98 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 20
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 335
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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