[(1S)-2-(6-Aminopurin-9-Yl)-1-Methyl-Ethoxy]Methyl-[Hydroxy(Phosphonooxy)Phosphoryl]Oxy-Phosphinic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C9H16N5O10P3
IUPAC Name [(1s)-2-(6-aminopurine-1,3,7-triium-9-yl)-1-methyl-ethoxy]methyl-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphinic acid
Molecular Mass 447.172 g·mol−1
Heat of Formation -2491.4 ± 16.7 kJ·mol−1
Dipole Moment 7.43 ± 1.08 D
Volume 440.71 Å 3
Surface Area 340.79 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy -1.24 ± eV
Point Group Symmetry C1
InChIKey IACQCQDWSIQSRP-LURJTMIESA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements P C H O N