Catalog Number |
ACM105370998 |
CAS |
105370-99-8 |
IUPAC Name |
[(2R)-2,3-Bis[(Z)-octadec-9-enoxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate |
Molecular Weight |
758.1 |
Molecular Formula |
C44H88NO6P |
Canonical SMILES |
CCCCCCCCC=CCCCCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)OCCCCCCCCC=CCCCCCCCC |
InChI |
InChI=1S/C44H88NO6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-48-42-44(43-51-52(46,47)50-41-38-45(3,4)5)49-40-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20-23,44H,6-19,24-43H2,1-5H3/b22-20-,23-21-/t44-/m1/s1 |
InChI Key |
RBPWQIKZHBYIEY-PXCYNBOKSA-N |
Purity |
99+% |
Complexity |
822 |
Covalently-Bonded Unit Count |
1 |
Defined Atom Stereocenter Count |
1 |
Exact Mass |
757.63492652 |
Heavy Atom Count |
52 |
Hydrogen Bond Acceptor Count |
6 |
Hydrogen Bond Donor Count |
0 |
Isomeric SMILES |
CCCCCCCC/C=C\CCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OCCCCCCCC/C=C\CCCCCCCC |
Monoisotopic Mass |
757.63492652 |
Physical State |
Liquid |
Rotatable Bond Count |
42 |
Storage Conditions |
-20 °C |
Topological Polar Surface Area |
77 Ų |
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