[(2R,3R,4R,5R)-2-[6-[2-[[9-[(2R,3R,4R,5R)-3-Acetoxy-4-Hydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]Purine-1,3,7-Triium-6-Yl]Amino]Ethylamino]Purine-1,3,7-Triium-9-Yl]-4-Hydroxy-5-(Hydroxymethyl)Tetrahydrofuran-3-Yl] 2-Aminoacetate
Properties
| Property | Value |
|---|---|
| Formula | C26H33N11O10 |
| IUPAC Name | [(2r,3r,4r,5r)-2-[6-[2-[[9-[(2r,3r,4r,5r)-3-acetoxy-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purine-1,3,7-triium-6-yl]amino]ethylamino]purine-1,3,7-triium-9-yl]-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl] 2-aminoacetate |
| Molecular Mass | 659.608 g·mol−1 |
| Heat of Formation | -1252.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.00 ± 1.08 D |
| Volume | 720.18 Å 3 |
| Surface Area | 600.53 Å 2 |
| HOMO Energy | -8.89 ± 0.55 eV |
| LUMO Energy | -0.73 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | KKXWKUFLRYNLJE-DQSURDJZSA-P |
| QR Code | Generate QR Code |
| Links | |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |