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CAS 127641-83-2

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(3R,4S,5R)-5-[(1R)-1-Carboxy-1-phosphonoethoxy]-4-hydroxy-3-(phosphonooxy)-1-cyclohexene-1-carboxylic acid

Description:
The chemical substance with the name "(3R,4S,5R)-5-[(1R)-1-Carboxy-1-phosphonoethoxy]-4-hydroxy-3-(phosphonooxy)-1-cyclohexene-1-carboxylic acid" and CAS number "127641-83-2" is a complex organic compound characterized by its multiple functional groups, including carboxylic acid and phosphonate moieties. This compound features a cyclohexene ring, which contributes to its cyclic structure and stereochemistry, indicated by the specific R and S configurations at various chiral centers. The presence of hydroxyl and phosphono groups suggests potential for strong hydrogen bonding and reactivity, making it a candidate for various biochemical applications. Its structural complexity may also imply specific interactions with biological systems, potentially influencing metabolic pathways. The compound is likely to be soluble in polar solvents due to its ionic and polar functional groups, and its stability may be influenced by environmental factors such as pH and temperature. Overall, this substance is of interest in fields such as medicinal chemistry and biochemistry, particularly in the study of phosphonates and their derivatives.
Formula:C10H16O13P2
InChI:InChI=1S/C10H16O13P2/c1-10(9(14)15,24(16,17)18)22-5-2-4(8(12)13)3-6(7(5)11)23-25(19,20)21/h3,5-7,11H,2H2,1H3,(H,12,13)(H,14,15)(H2,16,17,18)(H2,19,20,21)/t5-,6-,7+,10-/m1/s1
InChI key:InChIKey=HUOJJMMXOWLGJU-QGOVLLJGSA-N
SMILES:[C@](O[C@H]1[C@H](O)[C@H](OP(=O)(O)O)C=C(C(O)=O)C1)(P(=O)(O)O)(C(O)=O)C
Synonyms:
  • 1-Cyclohexene-1-carboxylic acid, 5-(1-carboxy-1-phosphonoethoxy)-4-hydroxy-3-(phosphonooxy)-, [3R-[3α,4α,5β(R*)]]-
  • 1-Cyclohexene-1-carboxylic acid, 5-[(1R)-1-carboxy-1-phosphonoethoxy]-4-hydroxy-3-(phosphonooxy)-, (3R,4S,5R)-
  • (3R,4S,5R)-5-[(1R)-1-Carboxy-1-phosphonoethoxy]-4-hydroxy-3-(phosphonooxy)-1-cyclohexene-1-carboxylic acid
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