(5S,6R)-6-Acetamido-5-Hydroxy-1,2,5,6-Tetrahydro-3-Pyridinecarboxylic Acid

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Properties Simple | Detailed

Formula C8H12N2O4
IUPAC Name (2r,3s)-2-acetamido-3-hydroxy-1,2,3,6-tetrahydropyridine-5-carboxylic acid
Molecular Mass 200.192 g·mol−1
Heat of Formation -706.6 ± 16.7 kJ·mol−1
Dipole Moment 5.76 ± 1.08 D
Volume 225.86 Å 3
Surface Area 218.25 Å 2
HOMO Energy -9.78 ± 0.55 eV
LUMO Energy 2.46 ± eV
Point Group Symmetry C1
Synonyms
  • (5s,6r)-6-acetamido-5-hydroxy-1,2,5,6-tetrahydropyridine-3-carboxylic acid
  • 3,4-didehydro-4-deoxysiastatin b
  • 3-pyridinecarboxylic acid, 6-(acetylamino)-1,2,5,6-tetrahydro-5-hydroxy-, (5s-trans)-
  • dhdo-siastatin b
CAS Number(s)
  • 142779-94-0
InChIKey FEWAMSIVMNWVLK-NKWVEPMBSA-N
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