(S)-Nadhx

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Formula C21H31N7O15P2
IUPAC Name [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2r,3s,4r,5r)-5-[(2s)-5-carbamoyl-2-hydroxy-3,4-dihydro-2h-pyridin-1-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
Molecular Mass 683.456 g·mol−1
Heat of Formation -3112.6 ± 16.7 kJ·mol−1
Dipole Moment 5.36 ± 1.08 D
Volume 690.52 Å 3
Surface Area 451.51 Å 2
HOMO Energy -8.82 ± 0.55 eV
LUMO Energy -1.14 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3s,4r,5r)-5-[(2s)-5-aminocarbonyl-2-hydroxy-3,4-dihydro-2h-pyridin-1-yl]-3,4-dihydroxy-oxolan-2-yl]methyl [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] hydrogen phosphate
  • [[(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methoxy-hydroxyphosphoryl] [(2r,3s,4r,5r)-5-[(2s)-5-carbamoyl-2-hydroxy-3,4-dihydro-2h-pyridin-1-yl]-3,4-dihydroxy-2-tetrahydrofuranyl]methyl hydrogen phosphate
  • [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2r,3s,4r,5r)-5-[(2s)-5-carbamoyl-2-hydroxy-3,4-dihydro-2h-pyridin-1-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
  • beta-6-hydroxy-1,4,5,6-tetrhydronicotinamide adenine dinucleotide
  • nax
InChIKey IDBZKGQRLBFUFQ-VPHRTNKSSA-N
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