[[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-(4H-Imidazol-1-Ium-4-Id-3-Yl)Phosphinic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C13H18N7O9P2
IUPAC Name [[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-(4h-imidazol-1-ium-4-id-3-yl)phosphinic acid
Molecular Mass 478.271 g·mol−1
Heat of Formation -1737.2 ± 16.7 kJ·mol−1
Dipole Moment 3.22 ± 1.08 D
Volume 477.45 Å 3
Surface Area 387.77 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy -1.77 ± eV
Point Group Symmetry C1
InChIKey MBXUYIWBVQHHBW-QYVSTXNMSA-O
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements P C H O N