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

Molecule SVG Image

Properties Simple | Detailed

Formula C21H19N8O14P2+
IUPAC Name [[(2s)-5-[(5e)-4-cyano-5-cyanoimino-2h-imidazol-1-yl]-3,4-dioxo-tetrahydrofuran-2-yl]methoxy-[3,4-dioxo-5-[4-(oxomethylene)piperidin-1-ium-1-yl]tetrahydrofuran-2-carbonyl]oxy-phosphoryl]oxy-oxido-oxo-phosphonium; molecular nitrogen
Molecular Mass 669.368 g·mol−1
Heat of Formation 39.6 ± 16.7 kJ·mol−1
Dipole Moment 8.18 ± 1.08 D
Volume 620.43 Å 3
Surface Area 465.89 Å 2
HOMO Energy -8.41 ± 0.55 eV
LUMO Energy -2.93 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl [[(2r,3s,4r,5r)-5-[4-(hydrazinecarbonyl)-1-pyridin-1-iumyl]-3,4-dihydroxy-2-tetrahydrofuranyl]methoxy-hydroxyphosphoryl] hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [[(2r,3s,4r,5r)-5-(4-carbazoylpyridin-1-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] hydrogen phosphate
  • [[(2r,3s,4r,5r)-5-[4-(aminocarbamoyl)pyridin-1-ium-1-yl]-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl hydrogen phosphate
InChIKey QMSGSKJBGLJKLV-NNYOXOHSSA-O
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements P C O N