[[[(2R,3S,5R)-5-(2-Amino-7-Ethyl-6-Oxo-3,8-Dihydropurin-1-Ium-8-Id-9-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl] Hydrogen Phosphate
Properties
Property | Value |
---|---|
Formula | C12H24N5O13P3 |
IUPAC Name | [[[(2r,3s,5r)-5-(2-amino-7-ethyl-6-oxo-3,8-dihydropurin-1-ium-8-id-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] hydrogen phosphate |
Molecular Mass | 539.266 g·mol−1 |
Heat of Formation | -3003.3 ± 16.7 kJ·mol−1 |
Dipole Moment | 14.46 ± 1.08 D |
Volume | 520.09 Å 3 |
Surface Area | 388.36 Å 2 |
HOMO Energy | -8.71 ± 0.55 eV |
LUMO Energy | -1.39 ± eV |
Point Group Symmetry | C1 |
InChIKey | HVXDIBLNZZVZRK-IPKPKSPZSA-P |
QR Code | Generate QR Code |
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Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | P C H O N |