[(2S,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
Properties
Property | Value |
---|---|
Formula | C12H18N5O7P-- |
IUPAC Name | 2-amino-7-ethyl-9-[(2r,4r,5s)-4-hydroxy-5-(hydroxymethyl)-4-phosphonato-tetrahydrofuran-2-yl]-3,8-dihydropurin-6-one |
Molecular Mass | 375.274 g·mol−1 |
Heat of Formation | -1245.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 8.38 ± 1.08 D |
Volume | 400.19 Å 3 |
Surface Area | 343.09 Å 2 |
HOMO Energy | -8.15 ± 0.55 eV |
LUMO Energy | -0.50 ± eV |
Point Group Symmetry | C1 |
InChIKey | DAUIPRHSYNKLFO-QRPMWFLTSA-L |
QR Code | Generate QR Code |
Links | PubChem |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | P C H O N |