[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] [(2R,3S,4R,5R)-5-[3-Carbamoyl-4-[(1S)-2-Oxocyclohexyl]Pyridin-1-Ium-1-Yl]-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Phosphate

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Properties Simple | Detailed

Formula C27H35N7O15P2
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-[3-carbamoyl-4-[(1s)-2-oxocyclohexyl]pyridin-1-ium-1-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphate
Molecular Mass 759.552 g·mol−1
Heat of Formation 1160.4 ± 16.7 kJ·mol−1
Dipole Moment 4.99 ± 1.08 D
Volume 704.49 Å 3
Surface Area 559.83 Å 2
Point Group Symmetry C1
Synonyms
  • [(2r,3s,4r,5r)-5-[3-aminocarbonyl-4-[(1s)-2-oxocyclohexyl]pyridin-1-ium-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] phosphate
  • [[(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methoxy-hydroxyphosphoryl] [(2r,3s,4r,5r)-5-[3-carbamoyl-4-[(1s)-2-oxocyclohexyl]-1-pyridin-1-iumyl]-3,4-dihydroxy-2-tetrahydrofuranyl]methyl phosphate
  • [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2r,3s,4r,5r)-5-[3-carbamoyl-4-[(1s)-2-ketocyclohexyl]pyridin-1-ium-1-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphate
  • ndc
  • nicotinamide adenine dinucleotide cyclohexanone
InChIKey HTFHWJHTWKCYLR-RINXRSLZSA-N
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