Methyl 4-Amino-7-(β-D-Ribofuranosyl)-7H-Pyrrolo[2,3-D]Pyrimidine-5-Carboxylate

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Properties Simple | Detailed

Formula C13H16N4O6
IUPAC Name methyl 4-amino-7-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrrolo[2,3-d]pyrimidin-7-ium-5-carboxylate
Molecular Mass 324.289 g·mol−1
Heat of Formation -864.2 ± 16.7 kJ·mol−1
Dipole Moment 3.82 ± 1.08 D
Volume 350.09 Å 3
Surface Area 310.09 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy -0.63 ± eV
Point Group Symmetry C1
Synonyms
  • 4-amino-7-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-5-pyrrolo[5,4-d]pyrimidinecarboxylic acid methyl ester
  • 4-amino-7-[(2r,3r,4s,5r)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]pyrrolo[5,4-d]pyrimidine-5-carboxylic acid methyl ester
  • methyl 4-amino-7-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrrolo[5,4-d]pyrimidine-5-carboxylate
InChIKey CEZTWGUUIVXSPB-WOUKDFQISA-N
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