99296-78-3
1,2-DIEICOSAPENTAENOYL-SN-GLYCERO-3-PHOSPHOCHOLINE
Name1,2-DIEICOSAPENTAENOYL-SN-GLYCERO-3-PHOSPHOCHOLINE
1Identification
【Name】
1,2-DIEICOSAPENTAENOYL-SN-GLYCERO-3-PHOSPHOCHOLINE
【CAS】
【MDL】
MFCD12912382
【English Synonyms】
【Formula】
C48 H76 N O8 P
【MolWeight】
826.101
【Inchi】
InChI=1S/C48H76NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h22-41,46H,6-21,42-45H2,1-5H3/b24-22+,25-23+,28-26+,29-27+,32-30+,33-31+,36-34+,37-35+,40-38+,41-39+/t46-/m1/s1
【InChIKey】
InChIKey=RGIMWKIXYHPSSR-KQYJYUAWSA-N
【SMILES】
CCCCCCCCC/C=C/C=C/C=C/C=C/C=C/C(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)/C=C/C=C/C=C/C=C/C=C/CCCCCCCCC
【MOL File】
1,2-DIEICOSAPENTAENO….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
1,2-DIEICOSAPENTAENOYL-SN-GLYCERO-3-PHOSPHOCHOLINE.cml