1-(3-Azido-3-Deoxy-α-D-Ribofuranosyl)-5-(2-Carboxyethyl)-2,4(1H,3H)-Pyrimidinedione

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Properties Simple | Detailed

Formula C12H16N5O7
IUPAC Name 3-[1-[(2s,3r,4s,5s)-4-azido-3-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2,4-dioxo-pyrimidin-5-yl]propanoic acid
Molecular Mass 342.285 g·mol−1
Heat of Formation -948.9 ± 16.7 kJ·mol−1
Dipole Moment 6.47 ± 1.08 D
Volume 362.81 Å 3
Surface Area 326.14 Å 2
HOMO Energy -9.59 ± 0.55 eV
LUMO Energy 2.47 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(3-azido-3-deoxy-beta-d-ribofuranosyl)-1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinepropanoic acid
  • 3-[1-[(2s,3r,4s,5s)-4-azido-3-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-2,4-dioxo-5-pyrimidinyl]propanoic acid
  • 3-[1-[(2s,3r,4s,5s)-4-azido-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxo-pyrimidin-5-yl]propanoic acid
  • 3-[1-[(2s,3r,4s,5s)-4-azido-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]propanoic acid
  • 3-[1-[(2s,3r,4s,5s)-4-azido-3-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2,4-dioxo-pyrimidin-5-yl]propanoic acid
  • 3-[1-[(2s,3r,4s,5s)-4-azido-3-hydroxy-5-methylol-tetrahydrofuran-2-yl]-2,4-diketo-pyrimidin-5-yl]propionic acid
  • 5-carboxyethyl-3'-azido-3'-deoxythymidine
  • 5-pyrimidinepropanoic acid, 1-(3-azido-3-deoxy-beta-d-ribofuranosyl)-1,2,3,4-tetrahydro-2,4-dioxo-
  • bw a1183u
  • bw-a1183u
CAS Number(s)
  • 128439-97-4
InChIKey ZKNPPJXSXOEVON-AAQQEJRNSA-N
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