91021-63-5
1-O-HEXADECYL-2-O-ACETYL-SN-GLYCERYL-3-PHOSPHORYL-N-METHYL-PYRROLIDINIUM ETHANOL
Name1-O-HEXADECYL-2-O-ACETYL-SN-GLYCERYL-3-PHOSPHORYL-N-METHYL-PYRROLIDINIUM ETHANOL
pro_formulaC28 H56 N O7 P
1Identification
【Name】
1-O-HEXADECYL-2-O-ACETYL-SN-GLYCERYL-3-PHOSPHORYL-N-METHYL-PYRROLIDINIUM ETHANOL
【CAS】
【MDL】
MFCD00216142
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C28 H56 N O7 P
【pro_molWeight】
549.724
【Inchi】
InChI=1S/C28H56NO7P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-23-33-25-28(36-27(2)30)26-35-37(31,32)34-24-22-29(3)20-17-18-21-29/h28H,4-26H2,1-3H3/t28-/m1/s1
【InChIKey】
InChIKey=QBLLCUIJMABRFJ-MUUNZHRXSA-N
【SMILES】
CCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+]1(CCCC1)C)OC(=O)C
【MOL File】
1-O-HEXADECYL-2-O-AC….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:8
XLogP3:5.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
1-O-HEXADECYL-2-O-ACETYL-SN-GLYCERYL-3-PHOSPHORYL-N-METHYL-PYRROLIDINIUM ETHANOL.cml