[[(2R,3S,4R,5R)-5-(6-Amino-2-Chloro-Purine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] Phosphono Hydrogen Phosphate

Molecule SVG Image

Properties Simple | Detailed

Formula C10H15ClN5O13P3
IUPAC Name [[(2r,3s,4r,5r)-5-(6-amino-2-chloro-purine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 541.626 g·mol−1
Heat of Formation -3076.4 ± 16.7 kJ·mol−1
Dipole Moment 3.36 ± 1.08 D
Volume 500.23 Å 3
Surface Area 380.58 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy -1.58 ± eV
Point Group Symmetry C1
InChIKey VAUGVOPLKJOGPN-UUOKFMHZSA-O
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C Cl H O N P