3-[9-[(2R,4S,5R)-4-Hydroxy-5-(Phosphonooxymethyl)Tetrahydrofuran-2-Yl]-6-Imino-Purine-3,7-Diium-1-Yl]Propanoic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C13H18N5O8P
IUPAC Name 3-[9-[(2r,4s,5r)-4-hydroxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yl]-6-imino-purine-3,7-diium-1-yl]propanoic acid
Molecular Mass 403.284 g·mol−1
Heat of Formation -1468.0 ± 16.7 kJ·mol−1
Dipole Moment 4.63 ± 1.08 D
Volume 424.1 Å 3
Surface Area 370.59 Å 2
HOMO Energy -8.82 ± 0.55 eV
LUMO Energy -0.59 ± eV
Point Group Symmetry C1
InChIKey RURWQRQNJMLKFS-PYEHZEBOSA-P
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements P C H O N