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

Molecule SVG Image

Properties Simple | Detailed

Formula C21H32N7O19P3
IUPAC Name [[(2r,3r,4r,5r)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2r,3s,4r,5r)-5-[(2s,3s)-5-carbamoyl-2,3-dihydroxy-3,4-dihydro-2h-pyridin-1-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
Molecular Mass 779.436 g·mol−1
Heat of Formation -4055.7 ± 16.7 kJ·mol−1
Dipole Moment 4.11 ± 1.08 D
Volume 778.46 Å 3
Surface Area 623.66 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy -1.60 ± eV
Point Group Symmetry C1
Synonyms
  • 5,6-dihydroxy-nadp
  • [(2r,3s,4r,5r)-5-[(2s,3s)-5-aminocarbonyl-2,3-dihydroxy-3,4-dihydro-2h-pyridin-1-yl]-3,4-dihydroxy-oxolan-2-yl]methyl [[(2r,3r,4r,5r)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] hydrogen phosphate
  • [[(2r,3r,4r,5r)-5-(6-amino-9-purinyl)-3-hydroxy-4-phosphonooxy-2-tetrahydrofuranyl]methoxy-hydroxyphosphoryl] [(2r,3s,4r,5r)-5-[(2s,3s)-5-carbamoyl-2,3-dihydroxy-3,4-dihydro-2h-pyridin-1-yl]-3,4-dihydroxy-2-tetrahydrofuranyl]methyl hydrogen phosphate
  • nzq
InChIKey LRAVAOPKUBJONV-IVCJQJMGSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements P C H O N