2-[Hydroxy(pentadecoxy)phosphoryl]oxyethyl-trimethylazanium
Basic information
- CAS
146801-07-2- Standard SMILES
CCCCCCCCCCCCCCCOP(=O)(O)OCC[N+](C)(C)C- InChIKey
HITMISAYDYAKTA-UHFFFAOYSA-O- Molecular formula
- C20H45NO4P+
- Average molar mass
- 394.5 g/mol
- Monoisotopic mass
- 394.30862091
Names & identifiers
- Preferred name
- 2-[Hydroxy(pentadecoxy)phosphoryl]oxyethyl-trimethylazanium
- IUPAC
- 2-[hydroxy(pentadecoxy)phosphoryl]oxyethyl-trimethylazanium
- English name
- FOS-CHOLINE-15, SOL-GRADE
- Molecular formula
- C20H44NO4P
- Molecular weight
- 393.54
Names & synonyms
2-[hydroxy(pentadecoxy)phosphoryl]oxyethyl-trimethylazaniumSCHEMBL5707895DTXSID503939142-{[Hydroxy(pentadecyloxy)phosphoryl]oxy}-N,N,N-trimethylethan-1-aminiumFOS-CHOLINE?-15, SOL-GRADE?Pentadecyl (2-(trimethylammonio)ethyl) phosphatePentadecyl 2-(trimethylazaniumyl)ethyl phosphaten-Pentadecyl-phosphocholine (C15-PC) Purity > 99%1-(Trimethylammonio)heptadecan-2-yl hydrogen phosphate
Database identifiers
- CAS
146801-07-2- PubChem CID
- 3587264
- DTXSID
DTXSID50393914
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 19
- Heavy atoms
- 26
- Formal charge
- 1
- Complexity
- 358
Physicochemical properties
- pka
- 1.276 · 1.276±0.50(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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