Basic information
- Standard SMILES
CCCCCC=CCC=CCCCCCCCC(=O)OCC(COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)OC(=O)CCCCCCCCCCCCCCCCC- InChIKey
QXVFHWYVDNWHSU-UHFFFAOYSA-N- Molecular formula
- C51H92O15
- Average molar mass
- 945.3 g/mol
- Monoisotopic mass
- 944.64362224
Names & identifiers
- Preferred name
- [1-Octadeca-9,12-dienoyloxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropan-2-yl] octadecanoate
- IUPAC
- [1-octadeca-9,12-dienoyloxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropan-2-yl] octadecanoate
Properties
Computed structural properties
- XLogP
- 10.8
- Topological polar surface area
- 231 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 42
- Heavy atoms
- 66
- Formal charge
- 0
- Complexity
- 1,250
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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