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

Molecule SVG Image

Properties Simple | Detailed

Formula C11H18N5O12P3
IUPAC Name [hydroxy-[[(2s,4r,5r)-4-hydroxy-5-[6-(methylamino)purine-1,3,7-triium-9-yl]tetrahydrofuran-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate
Molecular Mass 505.208 g·mol−1
Heat of Formation -2896.4 ± 16.7 kJ·mol−1
Dipole Moment 7.20 ± 1.08 D
Volume 492.51 Å 3
Surface Area 373.42 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy -1.23 ± eV
Point Group Symmetry C1
InChIKey SCEKRDUTAQCQSP-MVKOHCKWSA-O
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements P C H O N