[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-[[Hydroxy-[2-(4-Hydroxy-6-Methoxy-7-Methyl-3-Oxo-1H-Isobenzofuran-5-Yl)Ethoxy]Phosphoryl]Methyl]Phosphinic Acid
Properties
Property | Value |
---|---|
Formula | C23H29N5O13P2 |
IUPAC Name | [(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-[[hydroxy-[2-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1h-isobenzofuran-5-yl)ethoxy]phosphoryl]methyl]phosphinic acid |
Molecular Mass | 645.450 g·mol−1 |
Heat of Formation | -2461.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 6.07 ± 1.08 D |
Volume | 673.94 Å 3 |
Surface Area | 542.08 Å 2 |
HOMO Energy | -8.96 ± 0.55 eV |
LUMO Energy | -0.70 ± eV |
Point Group Symmetry | C1 |
InChIKey | HGVIGDGIHWCTPG-JKWAKEATSA-O |
QR Code | Generate QR Code |
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Elements | P C H O N |