93776-77-3 Purity
96%
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The molecular formula of the compound is C50H98O7.
The molecular weight of the compound is 811.3 g/mol.
Some synonyms for the compound are Oxybis(2-hydroxypropane-3,1-diyl) didocosanoate and 93776-81-9.
The IUPAC name of the compound is [3-(3-docosanoyloxy-2-hydroxypropoxy)-2-hydroxypropyl] docosanoate.
The InChIKey of the compound is VEPAYTBMKDMGDG-UHFFFAOYSA-N.
The Canonical SMILES of the compound is CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)O)O.
The compound has 2 hydrogen bond donor counts.
The XLogP3-AA value of the compound is 19.8.
The compound has 50 rotatable bond counts.
Yes, the compound is canonicalized.