115167-06-1
7-(ACETYLOXY)-4-HYDROXY-N,N,N-TRIMETHYL-10-OXO-3,5,9-TRIOXA-4-PHOSPHAHEPTACOSA-18,21-DIENE-1-AMINIUM]
Name7-(ACETYLOXY)-4-HYDROXY-N,N,N-TRIMETHYL-10-OXO-3,5,9-TRIOXA-4-PHOSPHAHEPTACOSA-18,21-DIENE-1-AMINIUM]
1Identification
【Name】
7-(ACETYLOXY)-4-HYDROXY-N,N,N-TRIMETHYL-10-OXO-3,5,9-TRIOXA-4-PHOSPHAHEPTACOSA-18,21-DIENE-1-AMINIUM]
【CAS】
【MDL】
MFCD16876309
【English Synonyms】
【Formula】
C28 H52 N O8 P
【MolWeight】
561.692
【Inchi】
InChI=1S/C28H52NO8P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-28(31)34-24-27(37-26(2)30)25-36-38(32,33)35-23-22-29(3,4)5/h10-11,13-14,27H,6-9,12,15-25H2,1-5H3/b11-10-,14-13-
【InChIKey】
InChIKey=RYGOFMBSJNVTQS-XVTLYKPTSA-N
【SMILES】
CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)C
【MOL File】
7-(ACETYLOXY)-4-HYDR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:9
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
7-(ACETYLOXY)-4-HYDROXY-N,N,N-TRIMETHYL-10-OXO-3,5,9-TRIOXA-4-PHOSPHAHEPTACOSA-18,21-DIENE-1-AMINIUM].cml