CAS 15596-27-7: D-Mannitol, 1,2,3,4,5,6-hexa-3-pyridinecarboxylate

Description:D-Mannitol, 1,2,3,4,5,6-hexa-3-pyridinecarboxylate, identified by the CAS number 15596-27-7, is a chemical compound that features a mannitol backbone modified with pyridinecarboxylate groups. Mannitol itself is a sugar alcohol commonly used as a sweetener and a diuretic in medical applications. The addition of pyridinecarboxylate moieties introduces unique properties, potentially enhancing its solubility and reactivity. This compound may exhibit biological activity, making it of interest in pharmaceutical research. Its structure suggests it could participate in hydrogen bonding and other intermolecular interactions, influencing its behavior in various environments. The presence of the pyridine ring may also impart specific electronic properties, affecting its reactivity and interaction with biological targets. Overall, this compound represents a blend of carbohydrate and nitrogen-containing functionalities, which could be explored for various applications in medicinal chemistry and material science.

Formula:C₄₂H₃₂N₆O₁₂

InChI:InChI=1S/C42H32N6O12/c49-37(27-7-1-13-43-19-27)55-25-33(57-39(51)29-9-3-15-45-21-29)35(59-41(53)31-11-5-17-47-23-31)36(60-42(54)32-12-6-18-48-24-32)34(58-40(52)30-10-4-16-46-22-30)26-56-38(50)28-8-2-14-44-20-28/h1-24,33-36H,25-26H2/t33-,34-,35-,36-/m1/s1

InChI key:InChIKey=IMRLNFKFNFLWQF-MGXDLYCJSA-N

SMILES:O=C(OCC(OC(=O)C=1C=NC=CC1)C(OC(=O)C=2C=NC=CC2)C(OC(=O)C=3C=NC=CC3)C(OC(=O)C=4C=NC=CC4)COC(=O)C=5C=NC=CC5)C=6C=NC=CC6

Synonyms:
[(1R,2R,3R,4R)-2,3,4,5-tetrakis(pyridine-3-carbonyloxy)-1-(pyridine-3-carbonyloxymethyl)pentyl] pyridine-3-carboxylate
D-Mannitol, hexa-3-pyridinecarboxylate
Mannitol, hexanicotinate, D-
D-Mannitol, 1,2,3,4,5,6-hexa-3-pyridinecarboxylate
D-Mannitol hexanicotinate