21970-13-8 Purity
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Specification
The molecular formula is C21H41O7P.
The IUPAC name is (2-hydroxy-3-phosphonooxypropyl) (Z)-octadec-9-enoate.
The InChI is InChI=1S/C21H41O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h9-10,20,22H,2-8,11-19H2,1H3,(H2,24,25,26)/b10-9-.
The InChIKey is WRGQSWVCFNIUNZ-KTKRTIGZSA-N.
The canonical SMILES is CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)O)O.
The molecular weight is 436.5 g/mol.
The CAS number is 22002-87-5.
The EC number is 244-710-0.
The ChEMBL ID is CHEMBL1222042.
The XLogP3-AA value is 5.2.