[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Ium-9-Yl)-4-(4-Ethyl-3-Aza-1-Azonia-2-Azanidacyclopenta-3,5-Dien-1-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate

Molecule SVG Image

Properties Simple | Detailed

Formula C14H19N8O6P
IUPAC Name [(2r,3s,4r,5r)-5-(6-aminopurin-9-ium-9-yl)-4-(4-ethyl-3-aza-1-azonia-2-azanidacyclopenta-3,5-dien-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 426.324 g·mol−1
Heat of Formation -904.1 ± 16.7 kJ·mol−1
Dipole Moment 4.60 ± 1.08 D
Volume 444.9 Å 3
Surface Area 378.05 Å 2
HOMO Energy -9.31 ± 0.55 eV
LUMO Energy -1.09 ± eV
Point Group Symmetry C1
InChIKey TWWQOUJMYDQJOB-IDTAVKCVSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements P C H O N