CAS 108321-22-8

Hexadecanoic acid, (1R)-1-(3-hydroxy-3-oxido-8-oxo-2,4-dioxa-7-aza-3-phosphatricos-1-yl)-1,2-ethanediyl ester, monoammonium salt

Description:

Hexadecanoic acid, also known as palmitic acid, is a saturated fatty acid with a long carbon chain, typically comprising 16 carbon atoms. The compound you referenced, with the CAS number 108321-22-8, is a complex derivative that includes a monoammonium salt form of a specific ester. This substance features a unique structure that incorporates a phosphatricos moiety, which suggests potential applications in biochemical contexts, possibly as a surfactant or in drug delivery systems. The presence of hydroxyl and oxo groups indicates that it may exhibit polar characteristics, enhancing its solubility in various solvents. Additionally, the esterification of hexadecanoic acid with the specified moiety implies that it may possess both hydrophobic and hydrophilic properties, making it suitable for interactions with biological membranes. Overall, this compound's unique structural features and functional groups suggest it could play a role in various chemical and biological applications, although specific properties such as melting point, solubility, and reactivity would require empirical data for precise characterization.

Formula: C₅₃H₁₀₄NO₉P·H₃N

InChI: InChI=1S/C53H104NO9P.H3N/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-51(55)54-46-47-61-64(58,59)62-49-50(63-53(57)45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)48-60-52(56)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2;/h50H,4-49H2,1-3H3,(H,54,55)(H,58,59);1H3/t50-;/m1./s1

InChI key: InChIKey=CREASFJXMVEMCZ-VDKVIGKMSA-N

SMILES: [C@@H](COP(OCCNC(CCCCCCCCCCCCCCC)=O)(=O)O)(OC(CCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCC)=O.N

Synonyms:

• Hexadecanoic acid, 1-(3-hydroxy-3-oxido-8-oxo-2,4-dioxa-7-aza-3-phosphatricos-1-yl)-1,2-ethanediyl ester, monoammonium salt, (R)-
• Hexadecanoic acid, 1-(3-hydroxy-8-oxo-2,4-dioxa-7-aza-3-phosphatricos-1-yl)-1,2-ethanediyl ester, P-oxide, monoammonium salt, (R)-
• Hexadecanoic acid, (1R)-1-(3-hydroxy-3-oxido-8-oxo-2,4-dioxa-7-aza-3-phosphatricos-1-yl)-1,2-ethanediyl ester, monoammonium salt