[(2R,3R,5R)-5-[(7R,9R)-2-Amino-7-Ethyl-6-Oxo-3,8-Dihydropurin-1-Ium-9-Yl]-3-Hydroxy-2-(Hydroxymethyl)Tetrahydrofuran-3-Yl]Oxy-Oxido-Oxo-Phosphonium

Molecule SVG Image

Properties Simple | Detailed

Formula C12H18N5O7P--
IUPAC Name 2-amino-7-ethyl-9-[(2r,4r,5r)-4-hydroxy-5-(hydroxymethyl)-4-phosphonato-tetrahydrofuran-2-yl]-3,8-dihydropurin-6-one
Molecular Mass 375.274 g·mol−1
Heat of Formation -1233.1 ± 16.7 kJ·mol−1
Dipole Moment 8.04 ± 1.08 D
Volume 400.61 Å 3
Surface Area 337.55 Å 2
HOMO Energy -8.31 ± 0.55 eV
LUMO Energy -0.80 ± eV
Point Group Symmetry C1
InChIKey DAUIPRHSYNKLFO-NQYJQULFSA-L
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements P C H O N