[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl (2-Azaniumylacetyl) Phosphate

Molecule SVG Image

Properties Simple | Detailed

Formula C12H18N6O8P+
IUPAC Name [(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl (2-azaniumylacetyl) phosphate
Molecular Mass 405.280 g·mol−1
Heat of Formation -1367.8 ± 16.7 kJ·mol−1
Dipole Moment 13.37 ± 1.08 D
Volume 412.72 Å 3
Surface Area 363.3 Å 2
HOMO Energy -9.01 ± 0.55 eV
LUMO Energy -0.77 ± eV
Point Group Symmetry C1
InChIKey MODJJGKUZIKBHM-JJNLEZRASA-P
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements P C H O N