93776-76-2 Purity
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Specification
The molecular formula is C30H58O7.
The molecular weight is 530.8 g/mol.
The IUPAC name is [3-(3-dodecanoyloxy-2-hydroxypropoxy)-2-hydroxypropyl] dodecanoate.
The InChI is InChI=1S/C30H58O7/c1-3-5-7-9-11-13-15-17-19-21-29(33)36-25-27(31)23-35-24-28(32)26-37-30(34)22-20-18-16-14-12-10-8-6-4-2/h27-28,31-32H,3-26H2,1-2H3
The InChIKey is IDAYRRHZKNGGCA-UHFFFAOYSA-N.
The Canonical SMILES is CCCCCCCCCCCC(=O)OCC(COCC(COC(=O)CCCCCCCCCCC)O)O.
The CAS number is 93776-79-5.
The XLogP3-AA value is 8.9.
There are 2 hydrogen bond donor counts.
Yes, it is a canonicalized compound.
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