Dodecylphosphocholine
Basic information
- CAS
29557-51-5- Standard SMILES
CCCCCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C- InChIKey
QBHFVMDLPTZDOI-UHFFFAOYSA-N- Molecular formula
- C17H38NO4P
- Average molar mass
- 351.5 g/mol
- Monoisotopic mass
- 351.25384569
Overview
Dodecylphosphocholine is a phosphocholine that is the monododecyl ester of phosphocholine. It has a role as a detergent.
Names & identifiers
- Preferred name
- Dodecylphosphocholine
- IUPAC
- dodecyl 2-(trimethylazaniumyl)ethyl phosphate
- English name
- DODECYL PHOSPHOCHOLINE
- Molecular formula
- C17H38NO4P
- Molecular weight
- 351.46
Names & synonyms
dodecylphosphocholinen-Dodecylphosphocholinedodecyl phosphocholinen-Dodecylphosphorylcholine2-(Trimethylammonio)ethyl dodecyl phosphateM5CF6282DDCHEBI:78018DDPPCLaurylphosphorylcholineEthanaminium, 2-(((dodecyloxy)hydroxyphosphinyl)oxy)-N,N,N-trimethyl-, inner saltDTXSID80860725ethanaminium, 2-[[(dodecyloxy)hydroxyphosphinyl]oxy]-N,N,N-trimethyl-, inner salt
Show more names
nC12PCD 23170n C12PCn-C12PCMAPCHO-12FOS-CHOLINE-1212:0 PHOSPHOCHOLINEMAPCHO?-12
Foscholine-12FC12 compoundRefChem:135532DTXCID80151145053949-18-16D40Q4FM2KDodecylphosphorylcholineEthanaminium, 2-(((dodecyloxy)hydroxyphosphinyl)oxy)-N,N,N-trimethyl-, chloride
Database identifiers
- CAS
29557-51-5- PubChem CID
- 644308
- DTXSID
DTXSID00952050
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 16
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 310
Physicochemical properties
- Melting point
- 224 · 224-226 °C
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- solubility
- 16 mg/ml; · DMF: 16 mg/ml; DMSO: 16 mg/ml; Ethanol: 15 mg/ml; PBS (pH 7.2): 25 mg/ml
- form
- A crystalline solid
- pka
- 1.276 · 1.276±0.50(predicted)
- color
- White to off-white
- InChI
- InChI=1S/C17H38NO4P/c1-5-6-7-8-9-10-11-12-13-14-16-21-23(19,20)22-17-15-18(2,3)4/h5-17H2,1-4H3
- InChIKey
- QBHFVMDLPTZDOI-UHFFFAOYSA-N
- SMILES
- O(CC[N+](C)(C)C)P([O-])(=O)OCCCCCCCCCCCC
- FDA UNII
- 5 CF6282DD · M5CF6282DD
- UNSPSC Code
- 12352211 · 12352211
- NACRES
- 25 · NA.25
- Symbol(GHS)
- 7 · GHS07,GHS08
- Signal word
- Danger
- Hazard statements
- 315 · H315-H317-H319-H335-H360
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- WGK 3
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS08
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H317-H319-H335-H360
- Precautionary statements
- P201-P261-P280-P305+P351+P338-P308+P313
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationCompounds which inhibit or antagonize the biosynthesis or actions of phosphodiesterases.
Applications
Usesn-Dodecylphosphocholine (unlabelled) (CAS# 29557-51-5) is a useful research compound. This compound can be used to produce large amounts of function membrane of the protein, hERG.
Additional notes
DefinitionChEBI: Dodecylphosphocholine is a phosphocholine that is the monododecyl ester of phosphocholine It has a role as a detergent.
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