[(2S,3R,4R,5S)-5-[(1R)-1,2-Dihydroxyethyl]-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Oxy-N-[9-[(2S,3S,5S)-5-[[[[(2S,3R)-2,3-Dihydroxy-4-Methyl-Pentanoyl]Amino]-Hydroxy-Phosphoryl]Oxymethyl]-3-Hydroxy-Tetrahydrofuran-2-Yl]Purine-1,3,7-Triium-6-Yl]Phosphonamidic Acid
Properties
| Property | Value |
|---|---|
| Formula | C22H36N6O16P2 |
| IUPAC Name | [(2s,3r,4r,5s)-5-[(1r)-1,2-dihydroxyethyl]-3,4-dihydroxy-tetrahydrofuran-2-yl]oxy-n-[9-[(2s,3s,5s)-5-[[[[(2s,3r)-2,3-dihydroxy-4-methyl-pentanoyl]amino]-hydroxy-phosphoryl]oxymethyl]-3-hydroxy-tetrahydrofuran-2-yl]purine-1,3,7-triium-6-yl]phosphonamidic acid |
| Molecular Mass | 702.499 g·mol−1 |
| Heat of Formation | -3337.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 13.27 ± 1.08 D |
| Volume | 736.38 Å 3 |
| Surface Area | 555.07 Å 2 |
| HOMO Energy | -9.09 ± 0.55 eV |
| LUMO Energy | -0.86 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | IYNLMNOTNLJPJC-YCBWKIOVSA-O |
| QR Code | Generate QR Code |
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| Elements | P C H O N |