| CAS Number | 2190-20-7 |
| Catalog Number | AG006YP9(AGN-PC-0QYEEA) |
| Chemical Name | 1,2-Dioleoyl-3-linoleoyl-rac-glycerol |
| IUPAC Name | [3-[(9E,12E)-octadeca-9,12-dienoyl]oxy-2-[(E)-octadec-9-enoyl]oxypropyl] (E)-octadec-9-enoate |
| InChI | InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-30,54H,4-15,17-18,20-24,31-53H2,1-3H3/b19-16+,28-25+,29-26+,30-27+ |
| InChI Key | JTMWOTXEVWLTTO-CGFQLDJTSA-N |
| MDL Number | MFCD00214281 |
| Molecular Formula | C57H102O6 |
| Molecular Weight | 883.4162 |
| SMILES | C(CCCCCCC\C=C/CCCCCCCC)(=O)OCC(COC(CCCCCCC\C=C/C\C=C/CCCCC)=O)OC(CCCCCCC\C=C/CCCCCCCC)=O |
| Synonyms | 1,2-Dioleoyl-3-linoleoyl-rac-glycerol,
2190-20-7,
AC1NXFAO,
SCHEMBL17678878,
1,2-Dioleoyl-3-linoleoyl-rac-glycerol, liquid, 97% (TLC),
Glycerol 1,2-dielaidate 3-[(9E,12E)-9,12-octadecadienoate],
1,2-Di(cis-9-octadecenoyl)-3-(cis-9,12-octadecadienoyl)-rac-glycerol,
[3-[(9E,12E)-octadeca-9,12-dienoyl]oxy-2-[(E)-octadec-9-enoyl]oxypropyl] (E)-octadec-9-enoate,
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| Complexity | 1110 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 4 |
| Exact Mass | 882.768g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 63 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 883.437g/mol |
| Monoisotopic Mass | 882.768g/mol |
| Rotatable Bond Count | 52 |
| Topological Polar Surface Area | 78.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 21.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number