[[(2S,3R,4R,5R,6S)-6-(2-Amino-6-Oxo-3H-Purine-1,7-Diium-4-Id-9-Yl)-4-[(2-Chloroacetyl)Amino]-3,5-Dihydroxy-Morpholin-2-Yl]Methoxy-Hydroxy-Phosphoryl] Phosphono Hydrogen Phosphate

Molecule SVG Image

Properties Simple | Detailed

Formula C12H20ClN7O15P3
IUPAC Name [[(2s,3r,4r,5r,6s)-6-(2-amino-6-oxo-3h-purine-1,7-diium-4-id-9-yl)-4-[(2-chloroacetyl)amino]-3,5-dihydroxy-morpholin-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 630.699 g·mol−1
Heat of Formation -3374.7 ± 16.7 kJ·mol−1
Dipole Moment 10.32 ± 1.08 D
Volume 578.94 Å 3
Surface Area 440.02 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy -1.88 ± eV
Point Group Symmetry C1
InChIKey YFDGFUQNNLFVDS-POEGSYLUSA-P
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C Cl H O N P