3,5,9-Trioxa-4-phosphapentacosan-1-aminium, 4,7-dihydroxy-N,N,N-trimethyl-10-oxo-, 4-oxide

HCID 86555

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Basic information

CAS: 15895-31-5
Standard SMILES: CCCCCCCCCCCCCCCC(=O)OCC(O)COP(=O)(O)OCC[N+](C)(C)C
InChIKey: ASWBNKHCZGQVJV-UHFFFAOYSA-O
Molecular formula: C24H51NO7P+
Average molar mass: 496.6 g/mol
Monoisotopic mass: 496.34031496

Names & identifiers

Preferred name: 3,5,9-Trioxa-4-phosphapentacosan-1-aminium, 4,7-dihydroxy-N,N,N-trimethyl-10-oxo-, 4-oxide
IUPAC: 2-[(3-hexadecanoyloxy-2-hydroxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium

Names & synonyms

15895-31-53,5,9-Trioxa-4-phosphapentacosan-1-aminium, 4,7-dihydroxy-N,N,N-trimethyl-10-oxo-, 4-oxideRefChem:2714291-PalmitoylglycerophosphocholineL-gamma-Palmitoyl-alpha-lysolecithinSCHEMBL12172649DTXSID401121558[(2~{R})-2-oxidanyl-3-[oxidanyl-[2-(trimethyl-$l^{5}-azanyl)ethoxy]phosphoryl]oxy-propyl] hexadecanoatePD193622C041024,7-Dihydroxy-N,N,N-trimethyl-4,10-dioxo-3,5,9-trioxa-4lambda~5~-phosphapentacosan-1-aminium

Database identifiers

CAS: 15895-31-5
PubChem CID: 86555
DTXSID: DTXSID401121558

Properties

Computed structural properties

XLogP: 5.6
Topological polar surface area: 102 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 7
Rotatable bonds: 24
Heavy atoms: 33
Formal charge: 1
Complexity: 525

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