Basic information
- CAS
120579-88-6- Standard SMILES
CCCCCCCCCCCCCC(=O)OCC(C)(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC- InChIKey
VEUAPRUTUSVTKB-UHFFFAOYSA-N- Molecular formula
- C47H90O6
- Average molar mass
- 751.2 g/mol
- Monoisotopic mass
- 750.67374059
Names & identifiers
- Preferred name
- Myristic acid, triester with 2-(hydroxymethyl)-2-methyl-1,3-propanediol
- IUPAC
- [2-methyl-3-tetradecanoyloxy-2-(tetradecanoyloxymethyl)propyl] tetradecanoate
Names & synonyms
UNII-8R5VW3M0ZJ8R5VW3M0ZJMyristic acid, triester with 2-(hydroxymethyl)-2-methyl-1,3-propanediol120579-88-6Tetradecanoic acid, 2-methyl-2-(((1-oxotetradecyl)oxy)methyl)-1,3-propanediyl esterSCHEMBL9724322TRIMETHYLOLETHANE TRIMYRISTATEQ27270915triester with 2-(hydroxymethyl)-2-methyl-1,3-propanediolmyristic acid
Database identifiers
- CAS
120579-88-6- PubChem CID
- 20070179
- UNII
- 8R5VW3M0ZJ
- Nikkaji
- J106.219K
Properties
Computed structural properties
- XLogP
- 19.3
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 45
- Heavy atoms
- 53
- Formal charge
- 0
- Complexity
- 708
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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