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

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Formula C18H21N7O4
IUPAC Name (2s,3s,4r,5r)-5-[6-[(4-aminophenyl)methylamino]purin-9-yl]-3,4-dihydroxy-n-methyl-tetrahydrofuran-2-carboxamide
Molecular Mass 399.404 g·mol−1
Heat of Formation -374.8 ± 16.7 kJ·mol−1
Dipole Moment 6.50 ± 1.08 D
Volume 448.82 Å 3
Surface Area 388.55 Å 2
HOMO Energy -8.65 ± 0.55 eV
LUMO Energy -1.01 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s,4r,5r)-5-[6-[(4-aminobenzyl)amino]purin-9-yl]-3,4-dihydroxy-n-methyl-tetrahydrofuran-2-carboxamide
  • (2s,3s,4r,5r)-5-[6-[(4-aminophenyl)methylamino]-9-purinyl]-3,4-dihydroxy-n-methyl-2-tetrahydrofurancarboxamide
  • (2s,3s,4r,5r)-5-[6-[(4-aminophenyl)methylamino]purin-9-yl]-3,4-dihydroxy-n-methyl-oxolane-2-carboxamide
  • (2s,3s,4r,5r)-5-[6-[(4-aminophenyl)methylamino]purin-9-yl]-3,4-dihydroxy-n-methyl-tetrahydrofuran-2-carboxamide
  • (2s,3s,4r,5r)-5-[6-[(4-aminophenyl)methylamino]purin-9-yl]-3,4-dihydroxy-n-methyloxolane-2-carboxamide
  • ab-meca
  • n6-(4-aminobenzyl)-9-[5-(methylcarbonyl)-beta-d-ribofuranosyl]adenine
  • n6-(4-aminobenzyl)-n-methylcarboxamidoadenosine
InChIKey LDYMCRRFCMRFKB-MOROJQBDSA-N
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