| CAS Number | 67303-93-9 |
| Catalog Number | AG006IMQ(AGN-PC-04RMA7) |
| Chemical Name | 1,3-Dipalmitoyl glycero-2-PE |
| IUPAC Name | [2-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-hexadecanoyloxypropyl] hexadecanoate |
| InChI | InChI=1S/C37H74NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(39)43-33-35(46-47(41,42)45-32-31-38)34-44-37(40)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35H,3-34,38H2,1-2H3,(H,41,42) |
| InChI Key | OQEIOUBBMBZINL-UHFFFAOYSA-N |
| MDL Number | MFCD00038196 |
| Molecular Formula | C37H74NO8P |
| Molecular Weight | 691.9591 |
| SMILES | O=C(CCCCCCCCCCCCCCC)OCC(OP([O-])(OCC[NH3+])=O)COC(CCCCCCCCCCCCCCC)=O |
| Synonyms | 1,3-Dipalmitoyl-glycero-2-phosphoethanolamine,
67303-93-9,
SCHEMBL15526366,
CTK8F2989,
DTXSID40647377,
MFCD00038196,
ZINC150339611,
FT-0745588,
D-6063,
C-48595,
1,3-Dipalmitoyl-sn-glycero-2-PE, >=95% (HPLC),
2-((2-aminoethoxy)(hydroxy)phosphoryloxy)propane-1,3-diyl dipalmitate,
[2-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-hexadecanoyloxypropyl] hexadecanoate,
2-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}propane-1,3-diyl dihexadecanoate,
OQEIOUBBMBZINL-UHFFFAOYSA-N,
|
| Complexity | 708 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 691.515g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 47 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 691.972g/mol |
| Monoisotopic Mass | 691.515g/mol |
| Rotatable Bond Count | 39 |
| Topological Polar Surface Area | 134A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 10.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number