[(2S,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3-[[7-(Diethylamino)-2-Oxo-Chromene-3-Carbonyl]Amino]-4-Hydroxy-Tetrahydrofuran-2-Yl]Methyl Phosphono Hydrogen Phosphate

Molecule SVG Image

Properties Simple | Detailed

Formula C24H30N7O12P2+
IUPAC Name [(2s,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3-[[7-(diethylamino)-2-oxo-chromene-3-carbonyl]amino]-4-hydroxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate
Molecular Mass 670.482 g·mol−1
Heat of Formation -2345.3 ± 16.7 kJ·mol−1
Dipole Moment 7.91 ± 1.08 D
Volume 701.74 Å 3
Surface Area 585.51 Å 2
HOMO Energy -8.56 ± 0.55 eV
LUMO Energy -1.38 ± eV
Point Group Symmetry C1
InChIKey XAOIOCVKONGQFV-ZLFGVDQTSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements P C H O N