[[(2R,3S,4R,5R)-4-Amino-5-(4-Amino-2-Oxo-Pyrimidin-3-Ium-1-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] Phosphono Hydrogen Phosphate

Molecule SVG Image

Properties Simple | Detailed

Formula C9H18N4O13P3+
IUPAC Name [[(2r,3s,4r,5r)-4-amino-5-(6-amino-2-oxo-1h-pyrimidin-3-ium-3-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 483.180 g·mol−1
Heat of Formation -3205.5 ± 16.7 kJ·mol−1
Dipole Moment 6.74 ± 1.08 D
Volume 453.36 Å 3
Surface Area 382.78 Å 2
HOMO Energy -9.59 ± 0.55 eV
LUMO Energy -1.40 ± eV
Point Group Symmetry C1
InChIKey LAYSTFWDLROLBH-XVFCMESISA-O
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements P C H O N