[(2R,3S,4R,5R)-5-(6-Amino-8-Azido-Purin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl [[(2R,3S,4R,5R)-5-(3-Carbamoyl-4H-Pyridin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] Hydrogen Phosphate

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Properties Simple | Detailed

Formula C21H28N10O14P2
IUPAC Name [[(2r,3s,4r,5r)-5-(8-azido-6-λ1-azanyl-purin-7-ium-9-yl)-3,4-dioxido-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl] [(2r,3s,4r,5r)-5-(5-λ1-azanylcarbonyl-3,6-dihydro-2h-pyridine-2,6-diylium-3-id-1-yl)-3,4-dioxido-tetrahydrofuran-2,4,5-triid-2-yl]methyl phosphate
Molecular Mass 706.453 g·mol−1
Heat of Formation -2495.5 ± 16.7 kJ·mol−1
Dipole Moment 4.48 ± 1.08 D
Volume 709.42 Å 3
Surface Area 458.23 Å 2
HOMO Energy -8.40 ± 0.55 eV
LUMO Energy -1.65 ± eV
Point Group Symmetry C1
Synonyms
  • (a)-8-azido-nad+
  • 8-azido-nad
  • [(2r,3s,4r,5r)-5-(6-amino-8-azido-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl [[(2r,3s,4r,5r)-5-(3-carbamoyl-4h-pyridin-1-yl)-3,4-dihydroxy-2-tetrahydrofuranyl]methoxy-hydroxyphosphoryl] hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-amino-8-azido-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [[(2r,3s,4r,5r)-5-(3-aminocarbonyl-4h-pyridin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-amino-8-azidopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [[(2r,3s,4r,5r)-5-(3-carbamoyl-4h-pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate
  • adenosine, 5'-(trihydrogen diphosphate), 8-azido-, p'-5'-ester with 1,4-dihydro-1-beta-d-ribofuranosyl-3-pyridinecarboxamide
  • nicotinamide 8-azidoadenine dinucleotide
CAS Number(s)
  • 134388-69-5
InChIKey TVIGBUPFTOPLFH-NAJQWHGHSA-N
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