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

Molecule SVG Image

Properties Simple | Detailed

Formula C27H33N8O18P3
IUPAC Name [[5-(6-amino-8h-purin-9-ium-8-ylium-9-yl)-3-hydroxy-4-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [5-[3-carbamoyl-4-(pyridine-4-carbonyl)-4h-pyridin-1-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
Molecular Mass 850.515 g·mol−1
Heat of Formation -3651.4 ± 16.7 kJ·mol−1
Dipole Moment 4.41 ± 1.08 D
Volume 851.55 Å 3
Surface Area 650.52 Å 2
HOMO Energy -8.73 ± 0.55 eV
LUMO Energy -1.57 ± eV
Point Group Symmetry C1
InChIKey FPZCWRGJBUDVSB-BGARNJTLSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements P C H O N