1-Palmitoyl-2-tridecanylcarbamyloxy-sn-glycero-3-phosphocholine

HCID 196491

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Basic information

CAS: 77165-61-8
Standard SMILES: CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)NCCCCCCCCCCCCC
InChIKey: GQKSATUESVKNGK-PSXMRANNSA-N
Molecular formula: C38H77N2O8P
Average molar mass: 721 g/mol
Monoisotopic mass: 720.54175442

Overview

sphingolipid analog

Names & identifiers

Preferred name: 1-Palmitoyl-2-tridecanylcarbamyloxy-sn-glycero-3-phosphocholine
IUPAC: [(2R)-3-hexadecanoyloxy-2-(tridecylcarbamoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate
English name: 1-palmitoyl-2-tridecanylcarbamyloxy-sn-glycero-3-phosphocholine
Molecular weight: 0

Names & synonyms

CM-PC1-Palmitoyl-2-tridecanylcarbamyloxy-sn-glycero-3-phosphocholine77165-61-8DTXSID502279273,5,8-Trioxa-10-aza-4-phosphatricosan-1-aminium, 4-hydroxy-N,N,N-trimethyl-9-oxo-7-(((1-oxohexadecyl)oxy)methyl)-, hydroxide, inner salt, 4-oxide, (R)-RefChem:76862DTXCID00150418[(2R)-3-hexadecanoyloxy-2-(tridecylcarbamoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphateSCHEMBL30515746(2R)-3-(Hexadecanoyloxy)-2-[(tridecylcarbamoyl)oxy]propyl 2-(trimethylazaniumyl)ethyl phosphate

Database identifiers

CAS: 77165-61-8
PubChem CID: 196491
DTXSID: DTXSID50227927

Properties

Computed structural properties

XLogP: 12.1
Topological polar surface area: 123 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 8
Rotatable bonds: 38
Heavy atoms: 49
Formal charge: 0
Complexity: 816

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