2-Deoxy-N-(2,5-Diamino-6-Oxo-3,6-Dihydro-4-Pyrimidinyl)-N-Formyl-α-D-Erythro-Pentofuranosylamine

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Properties Simple | Detailed

Formula C10H15N5O5
IUPAC Name n-(2,5-diamino-4-oxo-1h-pyrimidin-6-yl)-n-[(2s,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]formamide
Molecular Mass 285.257 g·mol−1
Heat of Formation -750.2 ± 16.7 kJ·mol−1
Dipole Moment 6.78 ± 1.08 D
Volume 315.98 Å 3
Surface Area 265.62 Å 2
HOMO Energy -8.58 ± 0.55 eV
LUMO Energy -0.28 ± eV
Point Group Symmetry C1
Synonyms
  • 2,5-dhdf
  • 2,5-diamino-4-hydroxy-6-(2'-deoxyribosyl)-formamidopyrimidine
  • n-(2,5-diamino-6-keto-3h-pyrimidin-4-yl)-n-[(2s,4s,5r)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]formamide
  • n-(2,5-diamino-6-oxo-3h-pyrimidin-4-yl)-n-[(2s,4s,5r)-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]formamide
  • n-(2,5-diamino-6-oxo-3h-pyrimidin-4-yl)-n-[(2s,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]formamide
  • n-(2,5-diamino-6-oxo-3h-pyrimidin-4-yl)-n-[(2s,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]methanamide
  • n-(2,5-diamino-6-oxo-3h-pyrimidin-4-yl)-n-[(2s,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]formamide
CAS Number(s)
  • 149438-16-4
InChIKey JQQDDYBLAOTOTK-JKUQZMGJSA-N
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