1-[3-(4-Carboxy-1-Piperidinyl)-3-Deoxy-β-D-Arabinofuranosyl]-2,4(1H,3H)-Pyrimidinedione

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Properties Simple | Detailed

Formula C15H21N3O7++
IUPAC Name 1-[(2s,3s,4s,5r)-5-(2,4-dioxo-5h-pyrimidin-1-ium-5-id-1-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl]piperidine-4-carboxylic acid
Molecular Mass 355.343 g·mol−1
Heat of Formation -1236.7 ± 16.7 kJ·mol−1
Dipole Moment 5.10 ± 1.08 D
Volume 397.55 Å 3
Surface Area 339.88 Å 2
HOMO Energy -9.76 ± 0.55 eV
LUMO Energy -0.64 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[(2s,3s,4s,5r)-5-(2,4-diketopyrimidin-1-yl)-4-hydroxy-2-methylol-tetrahydrofuran-3-yl]isonipecotic acid
  • 1-[(2s,3s,4s,5r)-5-(2,4-dioxo-1-pyrimidinyl)-4-hydroxy-2-(hydroxymethyl)-3-tetrahydrofuranyl]-4-piperidinecarboxylic acid
  • 1-[(2s,3s,4s,5r)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl]piperidine-4-carboxylic acid
  • 1-[3-(4-carboxypiperidin-1-yl)-3-deoxy-beta-d-arabinofuranosyl]pyrimidine-2,4(1h,3h)-dione
  • 3-n-piperidine-4-carboxyl-3-deoxy-ara-uridine
  • n3e
InChIKey IBEGWFLXVPJKRI-FOUMNBMASA-N
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