[(1R,4S,6S)-4-(6-Aminopurine-1,3,7-Triium-9-Yl)-6-Hydroxy-Cyclohex-2-En-1-Yl]Methyl Dihydrogen Phosphate

Molecule SVG Image

Properties Simple | Detailed

Formula C12H16N5O5P
IUPAC Name [(1r,4s,6s)-4-(6-aminopurine-1,3,7-triium-9-yl)-6-hydroxy-cyclohex-2-en-1-yl]methyl dihydrogen phosphate
Molecular Mass 341.260 g·mol−1
Heat of Formation -925.0 ± 16.7 kJ·mol−1
Dipole Moment 2.72 ± 1.08 D
Volume 364.91 Å 3
Surface Area 317.23 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy -0.83 ± eV
Point Group Symmetry C1
InChIKey QJNCJBDKSXWBEN-HLTSFMKQSA-O
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements P C H O N