1,2-Bis(9,10-dibromooleoyl)phosphatidylcholine
Basic information
- CAS
82178-46-9- Standard SMILES
CCCCCCCC/C(Br)=C(\Br)CCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C(Br)=C(\Br)CCCCCCCC- InChIKey
ORRJAZXAOVRVRF-SHZRGOASSA-N- Molecular formula
- C44H82Br4NO7P
- Average molar mass
- 1,087.7 g/mol
- Monoisotopic mass
- 1,083.25624
Names & identifiers
- Preferred name
- 1,2-Bis(9,10-dibromooleoyl)phosphatidylcholine
- IUPAC
- [(2R)-3-[(E)-9,10-dibromooctadec-9-enoxy]-2-[(E)-9,10-dibromooctadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
- English name
- 1,2-bis(9,10-dibromooleoyl)phosphatidylcholine
- Molecular formula
- C44H82Br4NO7P
- Molecular weight
- 1087.714141
Names & synonyms
Bdbopc82178-46-91,2-Bis(9,10-dibromooleoyl)phosphatidylcholine3,5,9-Trioxa-4-phosphaheptacos-18-en-1-aminium, 18,19-dibromo-7-((9,10-dibromo-1-oxo-9-octadecenyl)oxy)-4-hydroxy-N,N,N-trimethyl-, hydroxide, inner salt, 4-oxide, (R)-RefChem:71722[(2R)-3-[(E)-9,10-dibromooctadec-9-enoxy]-2-[(E)-9,10-dibromooctadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Database identifiers
- CAS
82178-46-9- PubChem CID
- 3036192
Properties
Computed structural properties
- XLogP
- 15.3
- Topological polar surface area
- 94.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 42
- Heavy atoms
- 57
- Formal charge
- 0
- Complexity
- 1,090
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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