(2R,3R,4R,5R)-2-(3-Carbamoyl-1-Pyridiniumyl)-5-({[(2R,3S,4R)-3,4-Dihydroxy-1-{[Hydroxy(Phosphonooxy)Phosphoryl]Oxy}-5-Oxo-2-Pentanyl]Oxy}Methyl)-4-Hydroxytetrahydro-3-Furanolate

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Properties Simple | Detailed

Formula C16H24N2O15P2
IUPAC Name (2r,3r,4s,5r)-2-(3-carbamoylpyridin-1-ium-1-yl)-5-[[(1r,2s,3r)-2,3-dihydroxy-1-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]-4-oxo-butoxy]methyl]-4-hydroxy-tetrahydrofuran-3-olate
Molecular Mass 546.314 g·mol−1
Heat of Formation -3042.1 ± 16.7 kJ·mol−1
Dipole Moment 3.21 ± 1.08 D
Volume 560.21 Å 3
Surface Area 459.76 Å 2
HOMO Energy -7.90 ± 0.55 eV
LUMO Energy -1.44 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4s,5r)-2-(3-aminocarbonylpyridin-1-ium-1-yl)-5-[[(2r,3s,4r)-3,4-dihydroxy-1-(hydroxy-phosphonooxy-phosphoryl)oxy-5-oxo-pentan-2-yl]oxymethyl]-4-hydroxy-oxolan-3-olate
  • (2r,3r,4s,5r)-2-(3-carbamoyl-1-pyridin-1-iumyl)-5-[[(1r,2s,3r)-2,3-dihydroxy-1-[(hydroxy-phosphonooxyphosphoryl)oxymethyl]-4-oxobutoxy]methyl]-4-hydroxy-3-tetrahydrofuranolate
  • (2r,3r,4s,5r)-2-(3-carbamoylpyridin-1-ium-1-yl)-5-[[(1r,2s,3r)-2,3-dihydroxy-1-[(hydroxy-phosphonooxy-phosphoryl)oxymethyl]-4-keto-butoxy]methyl]-4-hydroxy-tetrahydrofuran-3-olate
  • (2r,3r,4s,5r)-2-(3-carbamoylpyridin-1-ium-1-yl)-5-[[(1r,2s,3r)-2,3-dihydroxy-1-[(hydroxy-phosphonooxy-phosphoryl)oxymethyl]-4-oxo-butoxy]methyl]-4-hydroxy-tetrahydrofuran-3-olate
  • d-ribofuranose, 5-(trihydrogen diphosphate), 5-5'-ester with 3-(aminocarbonyl)-1-beta-d-ribofuranosylpyridinium hydroxide, inner salt
  • namrdpr
  • nicotinamide ribose diphosphate ribose
CAS Number(s)
  • 30419-23-9
InChIKey NCVOOBHSYZVJAI-HQKBCVNISA-N
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