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

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Properties Simple | Detailed

Formula C21H16N6O15P2
IUPAC Name [[(2r,3s,4r,5r)-5-(3-carbamoyl-4h-pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2r,3s,4r,5r)-3,4-dihydroxy-5-(6-oxo-3h-purin-9-yl)oxolan-2-yl]methyl hydrogen phosphate
Molecular Mass 654.330 g·mol−1
Heat of Formation -2885.1 ± 16.7 kJ·mol−1
Dipole Moment 9.76 ± 1.08 D
Volume 682.52 Å 3
Surface Area 555.57 Å 2
HOMO Energy -8.55 ± 0.55 eV
LUMO Energy -1.74 ± eV
Point Group Symmetry C1
Synonyms
  • [[(2r,3s,4r,5r)-5-(3-aminocarbonyl-4h-pyridin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] [(2r,3s,4r,5r)-3,4-dihydroxy-5-(6-oxo-3h-purin-9-yl)oxolan-2-yl]methyl hydrogen phosphate
  • [[(2r,3s,4r,5r)-5-(3-carbamoyl-4h-pyridin-1-yl)-3,4-dihydroxy-2-tetrahydrofuranyl]methoxy-hydroxyphosphoryl] [(2r,3s,4r,5r)-3,4-dihydroxy-5-(6-oxo-3h-purin-9-yl)-2-tetrahydrofuranyl]methyl hydrogen phosphate
  • [[(2r,3s,4r,5r)-5-(3-carbamoyl-4h-pyridin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2r,3s,4r,5r)-3,4-dihydroxy-5-(6-keto-3h-purin-9-yl)tetrahydrofuran-2-yl]methyl hydrogen phosphate
  • deamino-nadh
  • hypnadh
  • inosine 5'-(trihydrogen diphosphate), p'-5'-ester with 1,4-dihydro-1-beta-d-ribofuranosyl-3-pyridinecarboxamide
  • reduced nicotinamide hypoxanthine dinucleotide
CAS Number(s)
  • 22052-73-9
InChIKey WXWNHSQIXJHVJY-NNYOXOHSSA-N
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