Basic information
- CAS
32351-31-8- Standard SMILES
CCCCCCCCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC)COP(=O)(O)OCCCO- InChIKey
CRRQSPYXEKOWKM-UHFFFAOYSA-N- Molecular formula
- C36H69O9P
- Average molar mass
- 676.9 g/mol
- Monoisotopic mass
- 676.46792077
Names & identifiers
- Preferred name
- 9-Octadecenoic acid (9Z)-, (1R)-2-[[hydroxy(3-hydroxypropoxy)phosphinyl]oxy]-1-[[(1-oxododecyl)oxy]methyl]ethyl ester
- IUPAC
- [1-dodecanoyloxy-3-[hydroxy(3-hydroxypropoxy)phosphoryl]oxypropan-2-yl] octadec-9-enoate
Names & synonyms
DTXSID70110586432351-31-89-Octadecenoic acid (9Z)-, (1R)-2-[[hydroxy(3-hydroxypropoxy)phosphinyl]oxy]-1-[[(1-oxododecyl)oxy]methyl]ethyl ester
Database identifiers
- CAS
32351-31-8- PubChem CID
- 165367152
- DTXSID
DTXSID701105864
Properties
Computed structural properties
- XLogP
- 11.1
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 37
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 775
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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