4-Amino-5-Oxo-8-(β-D-Ribofuranosyl)-5,8-Dihydropyrido[2,3-D]Pyrimidine-6-Carboxamide

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Properties Simple | Detailed

Formula C13H15N5O6
IUPAC Name 4-amino-8-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-oxo-pyrido[2,3-d]pyrimidine-1,3-diium-4a-ide-6-carboxamide
Molecular Mass 337.288 g·mol−1
Heat of Formation -912.1 ± 16.7 kJ·mol−1
Dipole Moment 2.39 ± 1.08 D
Volume 350.23 Å 3
Surface Area 300.31 Å 2
HOMO Energy -9.79 ± 0.55 eV
LUMO Energy 1.83 ± eV
Point Group Symmetry C1
Synonyms
  • 4-amino-8-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-5-oxo-6-pyrido[6,5-d]pyrimidinecarboxamide
  • 4-amino-8-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-oxo-pyrido[6,5-d]pyrimidine-6-carboxamide
  • 4-amino-8-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-oxopyrido[6,5-d]pyrimidine-6-carboxamide
  • 4-amino-8-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-oxo-pyrido[6,5-d]pyrimidine-6-carboxamide
  • 4-amino-8-[(2r,3r,4s,5r)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-5-keto-pyrido[6,5-d]pyrimidine-6-carboxamide
InChIKey SPBWHPXCWJLQRU-FITJORAGSA-N
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