Basic information
- CAS
63512-39-0- Standard SMILES
CC(C)CC(=O)OCC(O)C(OC(=O)CC(C)C)C(OC(=O)CC(C)C)C(C=O)OC(=O)CC(C)C- InChIKey
WBUNPXFRBBHRLC-UHFFFAOYSA-N- Molecular formula
- C26H44O10
- Average molar mass
- 516.6 g/mol
- Monoisotopic mass
- 516.2934476
Names & identifiers
- Preferred name
- [2-Hydroxy-3,4,5-tris(3-methylbutanoyloxy)-6-oxohexyl] 3-methylbutanoate
- IUPAC
- [2-hydroxy-3,4,5-tris(3-methylbutanoyloxy)-6-oxohexyl] 3-methylbutanoate
Names & synonyms
WBUNPXFRBBHRLC-UHFFFAOYSA-N
Database identifiers
- CAS
63512-39-0- PubChem CID
- 112688
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 21
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 714
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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