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

Molecule SVG Image

Properties Simple | Detailed

Formula C13H19N7O12P3
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-hydroxy-phosphoryl]oxy-(4h-imidazol-1-ium-4-id-3-yl)phosphinic acid
Molecular Mass 558.251 g·mol−1
Heat of Formation -2712.6 ± 16.7 kJ·mol−1
Dipole Moment 5.32 ± 1.08 D
Volume 532.21 Å 3
Surface Area 377.53 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy -2.31 ± eV
Point Group Symmetry C1
InChIKey IPNOQILRLUSGMW-QYVSTXNMSA-O
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements P C H O N