Basic information
- CAS
39024-75-4- Standard SMILES
CCCCCCCCCCCCCCCC(=O)OCC1OC(OC2(COC(=O)CCCCCCCCCCCCCCC)OC(COC(=O)CCCCCCCCCCCCCCC)C(OC(=O)CCCCCCCCCCCCCCC)C2OC(=O)CCCCCCCCCCCCCCC)C(OC(=O)CCCCCCCCCCCCCCC)C(OC(=O)CCCCCCCCCCCCCCC)C1OC(=O)CCCCCCCCCCCCCCC- InChIKey
WJPZXFWMBSJTPE-UHFFFAOYSA-N- Molecular formula
- C140H262O19
- Average molar mass
- 2,249.6 g/mol
- Monoisotopic mass
- 2,247.95353612
Names & identifiers
- Preferred name
- [6-[3,4-Di(hexadecanoyloxy)-2,5-bis(hexadecanoyloxymethyl)oxolan-2-yl]oxy-3,4,5-tri(hexadecanoyloxy)oxan-2-yl]methyl hexadecanoate
- IUPAC
- [6-[3,4-di(hexadecanoyloxy)-2,5-bis(hexadecanoyloxymethyl)oxolan-2-yl]oxy-3,4,5-tri(hexadecanoyloxy)oxan-2-yl]methyl hexadecanoate
Names & synonyms
NSC97431NSC-97431
Database identifiers
- CAS
39024-75-4- PubChem CID
- 418005
Properties
Computed structural properties
- XLogP
- 57.7
- Topological polar surface area
- 238 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 19
- Rotatable bonds
- 133
- Heavy atoms
- 159
- Formal charge
- 0
- Complexity
- 3,180
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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