[(2R,3S,5R)-3-Hydroxy-5-[6-[[(2S)-2-Hydroxybut-3-Enyl]Amino]Purine-1,3,7-Triium-9-Yl]Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate
Properties
| Property | Value |
|---|---|
| Formula | C14H20N5O7P |
| IUPAC Name | [(2r,3s,5r)-3-hydroxy-5-[6-[[(2s)-2-hydroxybut-3-enyl]amino]purine-1,3,7-triium-9-yl]tetrahydrofuran-2-yl]methyl dihydrogen phosphate |
| Molecular Mass | 401.312 g·mol−1 |
| Heat of Formation | -1275.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.92 ± 1.08 D |
| Volume | 430.01 Å 3 |
| Surface Area | 381.38 Å 2 |
| HOMO Energy | -8.77 ± 0.55 eV |
| LUMO Energy | 2.63 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | AXOQBAYMDOJAFS-UKKRHICBSA-O |
| 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 |