Basic information
- CAS
206192-81-6- Standard SMILES
CCCCCCCCCCCCC(O)C1CCC(C(O)CCCCCC(O)CCCCCCC2CC(CC(C)=O)C(=O)O2)O1- InChIKey
JQYLOYZQPAYVNC-UHFFFAOYSA-N- Molecular formula
- C37H68O7
- Average molar mass
- 624.9 g/mol
- Monoisotopic mass
- 624.49650452
Names & identifiers
- Preferred name
- 5-[7,13-Dihydroxy-13-[5-(1-hydroxytridecyl)oxolan-2-yl]tridecyl]-3-(2-oxopropyl)oxolan-2-one
- IUPAC
- 5-[7,13-dihydroxy-13-[5-(1-hydroxytridecyl)oxolan-2-yl]tridecyl]-3-(2-oxopropyl)oxolan-2-one
Database identifiers
- CAS
206192-81-6
Properties
Computed structural properties
- XLogP
- 9.2
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 28
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 743
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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