Basic information
- CAS
90480-52-7- Standard SMILES
CCCC(=O)O.CCCCCCCC(=O)O.OCC(CO)(CO)CO- InChIKey
OTVXXUWOIHWAKH-UHFFFAOYSA-N- Molecular formula
- C17H36O8
- Average molar mass
- 368.5 g/mol
- Monoisotopic mass
- 368.2410181
Names & identifiers
- Preferred name
- 2,2-Bis(hydroxymethyl)propane-1,3-diol;butanoic acid;octanoic acid
- IUPAC
- 2,2-bis(hydroxymethyl)propane-1,3-diol;butanoic acid;octanoic acid
Names & synonyms
SCHEMBL28392882
Database identifiers
- CAS
90480-52-7- PubChem CID
- 175016527
Properties
Computed structural properties
- Topological polar surface area
- 156 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 12
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 191
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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