[[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] 2-Phenylacetate

Molecule SVG Image

Properties Simple | Detailed

Formula C18H20N5O8P
IUPAC Name [[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] 2-phenylacetate
Molecular Mass 465.354 g·mol−1
Heat of Formation -1409.8 ± 16.7 kJ·mol−1
Dipole Moment 2.71 ± 1.08 D
Volume 490.64 Å 3
Surface Area 428.88 Å 2
HOMO Energy -9.23 ± 0.55 eV
LUMO Energy -0.99 ± eV
Point Group Symmetry C1
InChIKey CVYVVAZJIUQJKY-XKLVTHTNSA-O
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements P C H O N