[[(2R,3S,4R,5R)-5-(6-Amino-2-Azido-Purin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] [(2R,3S,4R,5R)-5-(3-Carbamoylpyridin-1-Ium-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Phosphate

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Properties Simple | Detailed

Formula C21H30N10O14P2
IUPAC Name [[(2r,3s,4r,5r)-5-(2-azido-6-λ1-azanyl-purine-1,3-diium-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 708.469 g·mol−1
Heat of Formation -2125.7 ± 16.7 kJ·mol−1
Dipole Moment 21.29 ± 1.08 D
Volume 717.1 Å 3
Surface Area 611.93 Å 2
HOMO Energy -8.17 ± 0.55 eV
LUMO Energy -3.41 ± eV
Point Group Symmetry C1
Synonyms
  • 2-azido-nad
  • 2-azidoadenosine dinucleotide
  • 2n3nad
  • [[(2r,3s,4r,5r)-5-(6-amino-2-azido-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methoxy-hydroxyphosphoryl] [(2r,3s,4r,5r)-5-(3-carbamoyl-1-pyridin-1-iumyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl phosphate
  • [[(2r,3s,4r,5r)-5-(6-amino-2-azido-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] [(2r,3s,4r,5r)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl phosphate
  • [[(2r,3s,4r,5r)-5-(6-amino-2-azidopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2r,3s,4r,5r)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate
  • adenosine 5'-(trihydrogen diphosphate), 2-azido-, p'-5'-ester with 3-(aminocarbonyl)-1-beta-d-ribofuranosylpyridinium hydroxide, inner salt
  • nicotinamide 2-azidoadenine dinucleotide
CAS Number(s)
  • 126609-61-8
InChIKey VTOZZJOLJUEVPD-NAJQWHGHSA-N
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