3,5,12,15-Tetraoxa-9-thia-4-phosphaheptacosan-1-aminium, 7-(acetylamino)-4-hydroxy-N,N,N-trimethyl-, inner salt, 4-oxide
Basic information
- CAS
131574-86-2- Standard SMILES
CCCCCCCCCCCCOCCOCCSCC(COP(=O)([O-])OCC[N+](C)(C)C)NC(C)=O- InChIKey
JCKSDYHMDLYFIB-UHFFFAOYSA-N- Molecular formula
- C26H55N2O7PS
- Average molar mass
- 570.8 g/mol
- Monoisotopic mass
- 570.34676027
Names & identifiers
- Preferred name
- 3,5,12,15-Tetraoxa-9-thia-4-phosphaheptacosan-1-aminium, 7-(acetylamino)-4-hydroxy-N,N,N-trimethyl-, inner salt, 4-oxide
- IUPAC
- [2-acetamido-3-[2-(2-dodecoxyethoxy)ethylsulfanyl]propyl] 2-(trimethylazaniumyl)ethyl phosphate
Names & synonyms
131574-86-23,5,12,15-Tetraoxa-9-thia-4-phosphaheptacosan-1-aminium, 7-(acetylamino)-4-hydroxy-N,N,N-trimethyl-, inner salt, 4-oxideDTXSID909272723-({2-[2-(Dodecyloxy)ethoxy]ethyl}sulfanyl)-2-[(1-hydroxyethylidene)amino]propyl 2-(trimethylazaniumyl)ethyl phosphate
Database identifiers
- CAS
131574-86-2- PubChem CID
- 183071
- DTXSID
DTXSID90927272
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 27
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 585
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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