1,2-Hexanoylthiophosphotidylcholine
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Basic information
- CAS
70504-26-6- Standard SMILES
CCCCCC(=O)SCC(COP(=O)([O-])OCC[N+](C)(C)C)SC(=O)CCCCC- InChIKey
QPSMEAOJASLTHO-UHFFFAOYSA-N- Molecular formula
- C20H40NO6PS2
- Average molar mass
- 485.6 g/mol
- Monoisotopic mass
- 485.20346734
Overview
structure given in first source
Names & identifiers
- Preferred name
- 1,2-Hexanoylthiophosphotidylcholine
- IUPAC
- 2,3-bis(hexanoylsulfanyl)propyl 2-(trimethylazaniumyl)ethyl phosphate
- English name
- 1,2-hexanoylthiophosphotidylcholine
- Molecular formula
- C20H40NO6PS2
- Molecular weight
- 485.638461
Names & synonyms
DhdtpcDic6-thiopc1,2-Hexanoylthiophosphotidylcholine70504-26-61,2-Hexanoylthio-sn-glycero-3-phosphocholine3,5-Dioxa-9-thia-4-phosphapentadecan-1-aminium, 4-hydroxy-N,N,N-trimethyl-10-oxo-7-((1-oxohexyl)thio)-, (+-)-RefChem:720952,3-Bis(hexanoylthio)propylphosphocholineSCHEMBL30026253DTXSID209907121,2-S,S-Dihexanoyl-3-phosphocholine-1,2-dimercapto-3-propanolHLB95842
Show more names
2,3-bis(hexanoylsulfanyl)propyl 2-(trimethylazaniumyl)ethyl phosphate
Database identifiers
- CAS
70504-26-6- PubChem CID
- 189758
- DTXSID
DTXSID20990712
Properties
Computed structural propertiesFilling in
- XLogP
- 3.7
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 20
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 534
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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