CAS 1294481-80-3

β-D-erythro-Pentofuranose, 2-deoxy-2-fluoro-2-methyl-, 3,5-bis(4-chlorobenzoate), (2R)-

Description:

β-D-erythro-Pentofuranose, 2-deoxy-2-fluoro-2-methyl-, 3,5-bis(4-chlorobenzoate), (2R)- is a synthetic carbohydrate derivative characterized by its unique structural features. This compound is a modified sugar, specifically a furanose form of a pentose sugar, which includes a deoxy and fluoro substitution at the second carbon, along with a methyl group. The presence of the 3,5-bis(4-chlorobenzoate) moiety indicates that it has two chlorobenzoate ester groups, which can influence its solubility, reactivity, and biological activity. The (2R) designation refers to the specific stereochemistry at the second carbon, which is crucial for its interaction with biological systems. This compound may exhibit interesting properties such as altered metabolic pathways or enhanced binding affinities in biochemical applications. Its CAS number, 1294481-80-3, allows for precise identification in chemical databases, facilitating research and development in medicinal chemistry and related fields. Overall, this compound represents a complex interplay of structural modifications that can lead to diverse functional properties.

Formula: C₂₀H₁₇Cl₂FO₆

InChI: InChI=1S/C20H17Cl2FO6/c1-20(23)16(29-18(25)12-4-8-14(22)9-5-12)15(28-19(20)26)10-27-17(24)11-2-6-13(21)7-3-11/h2-9,15-16,19,26H,10H2,1H3/t15-,16-,19-,20-/m1/s1

InChI key: InChIKey=VMHGRJLDOZXGNA-XNFNUYLZSA-N

SMILES: O(C(=O)C1=CC=C(Cl)C=C1)[C@@H]2[C@@H](COC(=O)C3=CC=C(Cl)C=C3)O[C@@H](O)[C@]2(C)F

Synonyms:

• β-D-erythro-Pentofuranose, 2-deoxy-2-fluoro-2-methyl-, 3,5-bis(4-chlorobenzoate), (2R)-