Basic information
- CAS
120246-71-1- Standard SMILES
CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCC(Br)C(Br)CCCCCCCC- InChIKey
AZGVUJNTJSDJRE-UHFFFAOYSA-N- Molecular formula
- C44H86Br2NO8P
- Average molar mass
- 947.9 g/mol
- Monoisotopic mass
- 945.44578
Overview
RN & structure given in first source
Names & identifiers
- Preferred name
- 1-Oleoyl-2-(9,10-dibromostearoyl)phosphatidylcholine
- IUPAC
- [2-(9,10-dibromooctadecanoyloxy)-3-octadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
- English name
- 1-oleoyl-2-(9,10-dibromostearoyl)phosphatidylcholine
- Molecular formula
- C44H86Br2NO8P
- Molecular weight
- 947.937301
Names & synonyms
1-O-2-BPC120246-71-11-Oleoyl-2-(9,10-dibromostearoyl)-sn-glycero-3-phosphocholine1-Oleoyl-2-(9,10-dibromostearoyl)phosphatidylcholineRefChem:76796[2-(9,10-dibromooctadecanoyloxy)-3-octadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphateDTXSID609232812-[(9,10-Dibromooctadecanoyl)oxy]-3-(octadecanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate3,5,8-Trioxa-4-phosphahexacosan-1-aminium, 17,18-dibromo-4-hydroxy-N,N,N-trimethyl-9-oxo-7-(((1-oxooctadecyl)oxy)methyl)-, hydroxide, inner salt, 4-oxide
Database identifiers
- CAS
120246-71-1- PubChem CID
- 129092
- DTXSID
DTXSID60923281
Properties
Computed structural properties
- XLogP
- 15.5
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 44
- Heavy atoms
- 56
- Formal charge
- 0
- Complexity
- 962
Chemistry & industry
Suppliers2 total
HONEST JOY HOLDINGS LIMITED[email protected]
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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