[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl [(2R,3S,4R,5R)-5-(3-Carbamoyl-1,2,4-Triazol-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Hydrogen Phosphate

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Properties Simple | Detailed

Formula C18H24N9O11P
IUPAC Name [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2r,3s,4r,5r)-5-(3-carbamoyl-1,2,4-triazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
Molecular Mass 573.411 g·mol−1
Heat of Formation -1770.2 ± 16.7 kJ·mol−1
Dipole Moment 5.99 ± 1.08 D
Volume 592.63 Å 3
Surface Area 489.79 Å 2
HOMO Energy -9.17 ± 0.55 eV
LUMO Energy 2.31 ± eV
Point Group Symmetry C1
Synonyms
  • 3'-adenylic acid, 3'-5'-ester with 1-beta-d-ribofuranosyl-1h-1,2,4-triazole-3-carboxamide
  • [(2r,3s,4r,5r)-5-(3-aminocarbonyl-1,2,4-triazol-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl [(2r,3s,4r,5r)-5-(3-carbamoyl-1,2,4-triazol-1-yl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl hydrogen phosphate
  • adenylyl-(3'-5')-virazole
  • adenylyl-(3'-5')ribavirin
CAS Number(s)
  • 80948-57-8
InChIKey SUOVLCOMNHUFTD-LCRFBQFRSA-N
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