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

Molecule SVG Image

Properties Simple | Detailed

Formula C21H22N6O14P2
IUPAC Name [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2r,3s,4r,5r)-5-(3-formylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate
Molecular Mass 644.379 g·mol−1
Heat of Formation -2612.8 ± 16.7 kJ·mol−1
Dipole Moment 9.74 ± 1.08 D
Volume 646.78 Å 3
Surface Area 461.02 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy -1.85 ± eV
Point Group Symmetry C1
Synonyms
  • (pyridine-3-aldehyde)ad
  • 3-formylpyridine-adenine dinucleotide
  • 3-pyridine aldehyde-dpn
  • 3-pyridinealdehyde adenine dinucleotide
  • 3-pyridinealdehyde nad
  • 3-pyridinealdehyde-nad
  • [[(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methoxy-hydroxyphosphoryl] [(2r,3s,4r,5r)-5-(3-formyl-1-pyridin-1-iumyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl phosphate
  • [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] [(2r,3s,4r,5r)-3,4-dihydroxy-5-(3-methanoylpyridin-1-ium-1-yl)oxolan-2-yl]methyl phosphate
  • adenine-nicotinaldehyde dinucleotide
  • adenosine 5'-(trihydrogen diphosphate), 5'-5'-ester with 3-formyl-1-beta-d-ribofuranosylpyridinium hydroxide, inner salt (9ci)
  • diphosphopyridine nucleotide, 3-pyridinecarboxaldehyde analog
  • diphosphopyridine nucleotide, nicotinaldehyde analog
  • nicotinaldehyde-adenine dinucleotide
  • pyridine 3-aldehyde nad
  • pyridine-3-aldehyde diphosphopyridine nucleotide
  • pyridine-3-aldehyde-adenine dinucleotide
  • pyridinecarbaldehyde adenine dinucleotide
  • pyridinium, 3-formyl-1-beta-d-ribofuranosyl-, hydroxide, 5'-5'-ester with adenosine 5'-(trihydrogen pyrophosphate), inner salt (8ci)
CAS Number(s)
  • 86-07-7
InChIKey SZBYQPGZRAWXKJ-PLEFRAQWSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C P O N