(2S,3S,4R,5R)-5-{6-[(3-Aminobenzyl)Amino]-9H-Purin-9-Yl}-3,4-Dihydroxy-N-Methyltetrahydro-2-Furancarboxamide

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Formula C18H21N7O4
IUPAC Name (2s,3s,4r,5r)-5-[6-[(3-aminophenyl)methylamino]purine-1,3,7-triium-9-yl]-3,4-dihydroxy-n-methyl-tetrahydrofuran-2-carboxamide
Molecular Mass 399.404 g·mol−1
Heat of Formation -361.6 ± 16.7 kJ·mol−1
Dipole Moment 4.04 ± 1.08 D
Volume 451.64 Å 3
Surface Area 387.1 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy 2.40 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s,4r,5r)-5-[6-[(3-aminobenzyl)amino]purin-9-yl]-3,4-dihydroxy-n-methyl-tetrahydrofuran-2-carboxamide
  • (2s,3s,4r,5r)-5-[6-[(3-aminophenyl)methylamino]-9-purinyl]-3,4-dihydroxy-n-methyl-2-tetrahydrofurancarboxamide
  • (2s,3s,4r,5r)-5-[6-[(3-aminophenyl)methylamino]purin-9-yl]-3,4-dihydroxy-n-methyl-oxolane-2-carboxamide
  • (2s,3s,4r,5r)-5-[6-[(3-aminophenyl)methylamino]purin-9-yl]-3,4-dihydroxy-n-methyl-tetrahydrofuran-2-carboxamide
  • (2s,3s,4r,5r)-5-[6-[(3-aminophenyl)methylamino]purin-9-yl]-3,4-dihydroxy-n-methyloxolane-2-carboxamide
  • abamun
  • n(6)-(4-aminobenzyl)adenosine-5'-n-methyluronamide
CAS Number(s)
  • 152918-20-2
InChIKey YCLVIQWVMXAGIF-MOROJQBDSA-N
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