Basic information
- CAS
66157-40-2- Standard SMILES
CCCCCCCCCCCC(C(=O)O)C(O)(CC(=O)O)C(=O)O- InChIKey
UVAOEHSAFKLYID-UHFFFAOYSA-N- Molecular formula
- C17H30O7
- Average molar mass
- 346.4 g/mol
- Monoisotopic mass
- 346.19915329
Names & identifiers
- Preferred name
- 3-C-Carboxy-2,4-dideoxy-2-undecylpentaric acid
- IUPAC
- 2-hydroxytetradecane-1,2,3-tricarboxylic acid
Names & synonyms
66157-40-23-C-Carboxy-2,4-dideoxy-2-undecylpentaric acidSCHEMBL9187881DTXSID40710919
Database identifiers
- CAS
66157-40-2- PubChem CID
- 54373729
- DTXSID
DTXSID40710919
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 15
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 408
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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