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CAS 111613-33-3

:

8,10,14-Trioxa-5-aza-9-phosphadotriacont-23-enoic acid, 9-hydroxy-4,15-dioxo-12-[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]-, 9-oxide, sodium salt (1:1), (12R,23Z)-

Description:
The chemical substance known as "8,10,14-Trioxa-5-aza-9-phosphadotriacont-23-enoic acid, 9-hydroxy-4,15-dioxo-12-[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]-, 9-oxide, sodium salt (1:1), (12R,23Z)-" with CAS number 111613-33-3 is a complex organic compound characterized by its unique structural features, including multiple functional groups such as oxo, hydroxy, and phosphonate moieties. This compound is notable for its potential applications in biochemistry and pharmaceuticals, particularly due to its phosphorous content and the presence of a long-chain fatty acid derivative, which may influence its biological activity and solubility. The presence of multiple oxygen atoms in the structure suggests potential for hydrogen bonding and reactivity, while the azole and phosphonate groups may impart specific chemical properties relevant to its function. As a sodium salt, it is likely to exhibit increased solubility in aqueous environments, making it suitable for various biological applications. Overall, this compound represents a fascinating intersection of organic chemistry and biochemistry, with implications for drug design and development.
Formula:C45H82NO11P·Na
InChI:InChI=1S/C45H82NO11P.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-44(50)54-39-41(40-56-58(52,53)55-38-37-46-42(47)35-36-43(48)49)57-45(51)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h17-20,41H,3-16,21-40H2,1-2H3,(H,46,47)(H,48,49)(H,52,53);/b19-17-,20-18-;/t41-;/m1./s1
InChI key:InChIKey=AUORULBPYOKQGA-NFCDTPQPSA-N
SMILES:[C@@H](COP(OCCNC(CCC(O)=O)=O)(=O)O)(OC(CCCCCCC/C=C\CCCCCCCC)=O)COC(CCCCCCC/C=C\CCCCCCCC)=O.[Na]
Synonyms:
  • 8,10,14-Trioxa-5-aza-9-phosphadotriacont-23-enoic acid, 9-hydroxy-4,15-dioxo-12-[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]-, 9-oxide, sodium salt (1:1), (12R,23Z)-
  • 8,10,14-Trioxa-5-aza-9-phosphadotriacont-23-enoic acid, 9-hydroxy-4,15-dioxo-12-[(1-oxo-9-octadecenyl)oxy]-, 9-oxide, monosodium salt, [R-(Z,Z)]-
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