1-(2-Azido-2-Deoxy-β-D-Arabinofuranosyl)-5-Methyl-2,4(1H,3H)-Pyrimidinedione

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Properties Simple | Detailed

Formula C10H13N5O5
IUPAC Name 1-[(2r,3s,4s,5r)-3-azido-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione
Molecular Mass 283.241 g·mol−1
Heat of Formation -558.0 ± 16.7 kJ·mol−1
Dipole Moment 4.44 ± 1.08 D
Volume 310.52 Å 3
Surface Area 267.5 Å 2
HOMO Energy -9.64 ± 0.55 eV
LUMO Energy -0.65 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(2-azido-2-deoxy-beta-d-arabinofuranosyl)thymine
  • 1-(2-azido-2-deoxyarabinofuranosyl)thymine
  • 1-[(2r,3s,4s,5r)-3-azido-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-5-methylpyrimidine-2,4-dione
  • 1-[(2r,3s,4s,5r)-3-azido-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione
  • 1-[(2r,3s,4s,5r)-3-azido-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
  • 1-[(2r,3s,4s,5r)-3-azido-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione
  • 1-[(2r,3s,4s,5r)-3-azido-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-quinone
  • 1-adat
  • 2,4(1h,3h)-pyrimidinedione, 1-(2-azido-2-deoxy-beta-d-arabinofuranosyl)-5-methyl-
CAS Number(s)
  • 131232-94-5
InChIKey JEIPQKWFUIEONT-JVZYCSMKSA-N
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