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CAS 419563-23-8

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Butanedioic acid, 2,3-dihydroxy- (2S,3S)-, compd. with methyl (1R,4S)-4-amino-2-cyclopentene-1-carboxylate (1:1)

Description:
Butanedioic acid, 2,3-dihydroxy- (2S,3S)-, compd. with methyl (1R,4S)-4-amino-2-cyclopentene-1-carboxylate (1:1), identified by CAS number 419563-23-8, is a chemical compound characterized by its complex structure, which includes a butanedioic acid moiety with hydroxyl groups at the 2 and 3 positions, indicating its potential as a diol. The compound also features a methyl ester linked to a cyclopentene derivative that contains an amino group, suggesting it may exhibit biological activity or serve as a pharmaceutical intermediate. The stereochemistry indicated by the (2S,3S) and (1R,4S) designations implies specific spatial arrangements of atoms, which can significantly influence the compound's reactivity and interactions with biological systems. This compound may be of interest in medicinal chemistry due to its potential applications in drug development, particularly in the context of targeting specific biological pathways or receptors. Its solubility, stability, and reactivity would depend on the functional groups present and the overall molecular structure.
Formula:C7H11NO2·C4H6O6
InChI:InChI=1S/C7H11NO2.C4H6O6/c1-10-7(9)5-2-3-6(8)4-5;5-1(3(7)8)2(6)4(9)10/h2-3,5-6H,4,8H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t5-,6+;1-,2-/m00/s1
InChI key:InChIKey=XSEHIOOHMZAFCV-SCKHFGBISA-N
SMILES:C(OC)(=O)[C@@H]1C[C@H](N)C=C1.[C@H]([C@@H](C(O)=O)O)(C(O)=O)O
Synonyms:
  • Butanedioic acid, 2,3-dihydroxy- (2S,3S)-, compd. with methyl (1R,4S)-4-amino-2-cyclopentene-1-carboxylate (1:1)
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