[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Ium-9-Yl)-4-(4-Ethyl-3-Aza-1-Azonia-2-Azanidacyclopenta-3,5-Dien-1-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate
Properties
Property | Value |
---|---|
Formula | C14H19N8O6P |
IUPAC Name | [(2r,3s,4r,5r)-5-(6-aminopurin-9-ium-9-yl)-4-(4-ethyl-3-aza-1-azonia-2-azanidacyclopenta-3,5-dien-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate |
Molecular Mass | 426.324 g·mol−1 |
Heat of Formation | -904.1 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.60 ± 1.08 D |
Volume | 444.9 Å 3 |
Surface Area | 378.05 Å 2 |
HOMO Energy | -9.31 ± 0.55 eV |
LUMO Energy | -1.09 ± eV |
Point Group Symmetry | C1 |
InChIKey | TWWQOUJMYDQJOB-IDTAVKCVSA-N |
QR Code | Generate QR Code |
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Elements | P C H O N |