[[(2R,3S,4R,5R)-5-[2-Amino-6-[(2S,3R,4S,5R)-3,4-Dihydroxy-5-(Phosphonooxymethyl)Tetrahydrofuran-2-Yl]Oxy-Purine-1,3,7-Triium-9-Yl]-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] Phosphono Hydrogen Phosphate
Properties
| Property | Value |
|---|---|
| Formula | C15H25N5O21P4 |
| IUPAC Name | [[(2r,3s,4r,5r)-5-[2-amino-6-[(2s,3r,4s,5r)-3,4-dihydroxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yl]oxy-purine-1,3,7-triium-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate |
| Molecular Mass | 735.275 g·mol−1 |
| Heat of Formation | -4827.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 8.06 ± 1.08 D |
| Volume | 681.52 Å 3 |
| Surface Area | 553.13 Å 2 |
| HOMO Energy | -9.26 ± 0.55 eV |
| LUMO Energy | -1.32 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | QXCHCTCXNZUYRY-MHJQXXNXSA-O |
| QR Code | Generate QR Code |
| Links | |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | P C H O N |