96801-55-7
1-O-HEXADECYL-2-DEOXY-2-THIO-S-ACETYL-SN-GLYCERYL-3-PHOSPHORYLCHOLINE
Name1-O-HEXADECYL-2-DEOXY-2-THIO-S-ACETYL-SN-GLYCERYL-3-PHOSPHORYLCHOLINE
pro_formulaC26 H54 N O6 P S
1Identification
【Name】
1-O-HEXADECYL-2-DEOXY-2-THIO-S-ACETYL-SN-GLYCERYL-3-PHOSPHORYLCHOLINE
【CAS】
【MDL】
MFCD00135189
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C26 H54 N O6 P S
【pro_molWeight】
539.754
【Inchi】
InChI=1S/C26H54NO6PS/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-31-23-26(35-25(2)28)24-33-34(29,30)32-22-20-27(3,4)5/h26H,6-24H2,1-5H3/t26-/m1/s1
【InChIKey】
InChIKey=YPPZOKNKENLFTE-AREMUKBSSA-N
【SMILES】
CCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)SC(=O)C
【MOL File】
1-O-HEXADECYL-2-DEOX….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:7
XLogP3:4.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
1-O-HEXADECYL-2-DEOXY-2-THIO-S-ACETYL-SN-GLYCERYL-3-PHOSPHORYLCHOLINE.cml