CAS 130971-02-7

(3S)-3-Hydroxy-4-(phosphonooxy)-2-butanone

Description:

(3S)-3-Hydroxy-4-(phosphonooxy)-2-butanone, also known by its CAS number 130971-02-7, is a chemical compound characterized by its unique structural features, including a hydroxyl group and a phosphonooxy group attached to a butanone backbone. This compound is typically classified as a phosphonate, which indicates the presence of a phosphorus atom bonded to oxygen. Its stereochemistry is defined by the (3S) configuration, indicating the specific spatial arrangement of atoms around the chiral center at the third carbon. This compound is of interest in various biochemical applications, particularly in the context of metabolic pathways and enzymatic reactions, where it may act as an intermediate or a substrate. Its solubility in polar solvents and potential reactivity with nucleophiles are notable characteristics, making it relevant in synthetic organic chemistry and biochemistry. Additionally, the presence of the phosphonooxy group suggests potential applications in agriculture or pharmaceuticals, particularly in the development of herbicides or enzyme inhibitors.

Formula: C₄H₉O₆P

InChI: InChI=1S/C4H9O6P/c1-3(5)4(6)2-10-11(7,8)9/h4,6H,2H2,1H3,(H2,7,8,9)/t4-/m0/s1

InChI key: InChIKey=OKYHYXLCTGGOLM-BYPYZUCNSA-N

SMILES: C([C@@H](C(C)=O)O)OP(=O)(O)O

Synonyms:

• 2-Butanone, 3-hydroxy-4-(phosphonooxy)-, (S)-
• (3S)-3,4-Dihydroxy-2-butanone 4-phosphate
• [(2S)-2-Hydroxy-3-oxobutoxy]phosphonic acid
• 2-Butanone, 3-hydroxy-4-(phosphonooxy)-, (3S)-
• (3S)-3-Hydroxy-4-(phosphonooxy)-2-butanone