85046-21-5
1-LINOLEOYL-2-STERAOYL-SN-GLYCERO-3-PHOSPHORYLCHOLINE
Name1-LINOLEOYL-2-STERAOYL-SN-GLYCERO-3-PHOSPHORYLCHOLINE
1Identification
【Name】
1-LINOLEOYL-2-STERAOYL-SN-GLYCERO-3-PHOSPHORYLCHOLINE
【CAS】
【MDL】
MFCD11974131
【English Synonyms】
【Formula】
C44 H84 N O8 P
【MolWeight】
786.121
【Inchi】
InChI=1S/C44H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14,16,20,22,42H,6-13,15,17-19,21,23-41H2,1-5H3/b16-14-,22-20-/t42-/m1/s1
【InChIKey】
InChIKey=DZPKSVTWWIZUMS-FPUNCOTOSA-N
【SMILES】
CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COP(=O)([O-])OCC[N+](C)(C)C
【MOL File】
1-LINOLEOYL-2-STERAO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:9
XLogP3:13.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-LINOLEOYL-2-STERAOYL-SN-GLYCERO-3-PHOSPHORYLCHOLINE.cml