CAS 439904-34-4

3,5,9-Trioxa-4-phosphapentacosan-1-aminium, 7-[[(10E)-11-carboxy-1,9-dioxo-10-undecen-1-yl]oxy]-4-hydroxy-N,N,N-trimethyl-10-oxo-, inner salt, 4-oxide, (7R)-

Description:

3,5,9-Trioxa-4-phosphapentacosan-1-aminium, 7-[[(10E)-11-carboxy-1,9-dioxo-10-undecen-1-yl]oxy]-4-hydroxy-N,N,N-trimethyl-10-oxo-, inner salt, 4-oxide, (7R)- is a complex organic compound characterized by its unique structural features, including multiple functional groups such as aminium, carboxylic acid, and hydroxyl groups. This compound contains a long carbon chain, which contributes to its hydrophobic properties, while the presence of polar functional groups enhances its solubility in aqueous environments. The phosphonium moiety suggests potential applications in biochemistry and materials science, particularly in drug delivery systems or as surfactants. The stereochemistry indicated by the (7R) designation implies specific spatial arrangements that can influence the compound's biological activity and interaction with other molecules. Overall, this substance's intricate structure and functional diversity make it a subject of interest for research in various fields, including medicinal chemistry and polymer science.

Formula: C₃₆H₆₆NO₁₁P

InChI: InChI=1S/C36H66NO11P/c1-5-6-7-8-9-10-11-12-13-14-15-18-21-24-35(41)45-30-33(31-47-49(43,44)46-29-28-37(2,3)4)48-36(42)25-22-19-16-17-20-23-32(38)26-27-34(39)40/h26-27,33H,5-25,28-31H2,1-4H3,(H-,39,40,43,44)/b27-26+/t33-/m1/s1

InChI key: InChIKey=XWKBYMQTSGGZLW-PHSKOSPPSA-N

SMILES: [C@@H](COP(OCC[N+](C)(C)C)(=O)[O-])(OC(CCCCCCCC(/C=C/C(O)=O)=O)=O)COC(CCCCCCCCCCCCCCC)=O

Synonyms:

• KDdiA-PPC
• 3,5,9-Trioxa-4-phosphapentacosan-1-aminium, 7-[[(10E)-11-carboxy-1,9-dioxo-10-undecen-1-yl]oxy]-4-hydroxy-N,N,N-trimethyl-10-oxo-, inner salt, 4-oxide, (7R)-
• 3,5,9-Trioxa-4-phosphapentacosan-1-aminium, 7-[[(10E)-11-carboxy-1,9-dioxo-10-undecenyl]oxy]-4-hydroxy-N,N,N-trimethyl-10-oxo-, inner salt, 4-oxide, (7R)-
• 1-Palmitoyl-2-(4-keto-dodec-3-ene-dioyl)phosphatidylcholine

KDdiA-PC

CAS: 439904-34-4

KDdiA-PC is an oxidized phosphatidylcholine (oxPC) directly related to atherosclerosis.

Formula: C₃₆H₆₆NO₁₁P

Color and Shape: Solid

Molecular weight: 719.88

Ref: TM-T36171