Basic information
- CAS
6694-04-8- Standard SMILES
CCCCCC=CCC=CCC=CCC=CCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)O- InChIKey
SPYWWYSOADUXOQ-UHFFFAOYSA-N- Molecular formula
- C39H69O8P
- Average molar mass
- 696.9 g/mol
- Monoisotopic mass
- 696.47300615
Names & identifiers
- Preferred name
- 1-(Hexadecanoyloxy)-3-(phosphonooxy)propan-2-yl icosa-5,8,11,14-tetraenoate
- IUPAC
- (1-hexadecanoyloxy-3-phosphonooxypropan-2-yl) icosa-5,8,11,14-tetraenoate
Names & synonyms
6694-04-8DTXSID104095251-(Hexadecanoyloxy)-3-(phosphonooxy)propan-2-yl icosa-5,8,11,14-tetraenoate
Database identifiers
- CAS
6694-04-8- PubChem CID
- 5201213
- DTXSID
DTXSID10409525
Properties
Computed structural properties
- XLogP
- 12.1
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 36
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 921
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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