[(2R,3S,4R,5R)-5-[6-[2-[[9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]Purine-1,3,7-Triium-6-Yl]Amino]Ethylamino]Purine-1,3,7-Triium-9-Yl]-4-Hydroxy-2-(Hydroxymethyl)Tetrahydrofuran-3-Yl] (2S)-2-Amino-4-Methyl-Pentanoate
Properties
| Property | Value |
|---|---|
| Formula | C28H39N11O9 |
| IUPAC Name | [(2r,3s,4r,5r)-5-[6-[2-[[9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purine-1,3,7-triium-6-yl]amino]ethylamino]purine-1,3,7-triium-9-yl]-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] (2s)-2-amino-4-methyl-pentanoate |
| Molecular Mass | 673.678 g·mol−1 |
| Heat of Formation | -1118.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.50 ± 1.08 D |
| Volume | 763.35 Å 3 |
| Surface Area | 631.2 Å 2 |
| HOMO Energy | -8.86 ± 0.55 eV |
| LUMO Energy | -0.68 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | CXJYGCVRKOSVKW-RISMBRODSA-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 |