Basic information
- Standard SMILES
CCC=CCC=CCC=CCC=CCC=CCCCC(=O)OCC(COC1OC(CO)C(O)C(O)C1O)OC(=O)CCCCC=CCC=CCC=CCCC- InChIKey
SHAALCCXWADAJS-UHFFFAOYSA-N- Molecular formula
- C45H70O10
- Average molar mass
- 771 g/mol
- Monoisotopic mass
- 770.49689844
Names & identifiers
- Preferred name
- [2-Hexadeca-6,9,12-trienoyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] icosa-5,8,11,14,17-pentaenoate
- IUPAC
- [2-hexadeca-6,9,12-trienoyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] icosa-5,8,11,14,17-pentaenoate
Properties
Computed structural properties
- XLogP
- 8.6
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 33
- Heavy atoms
- 55
- Formal charge
- 0
- Complexity
- 1,210
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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