N-[4-[[9-[(2R,3R,4S,5R)-5-[[3-[(4-Tert-Butylphenyl)Carbamoylamino]Propyl-Isopropyl-Amino]Methyl]-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Purine-1,3,7-Triium-6-Yl]Amino]Butyl]Acetamide
Properties
| Property | Value |
|---|---|
| Formula | C33H51N9O5 |
| IUPAC Name | n-[4-[[9-[(2r,3r,4s,5r)-5-[[3-[(4-tert-butylphenyl)carbamoylamino]propyl-isopropyl-amino]methyl]-3,4-dihydroxy-tetrahydrofuran-2-yl]purine-1,3,7-triium-6-yl]amino]butyl]acetamide |
| Molecular Mass | 653.815 g·mol−1 |
| Heat of Formation | -784.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.29 ± 1.08 D |
| Volume | 807.82 Å 3 |
| Surface Area | 693.01 Å 2 |
| HOMO Energy | -8.52 ± 0.55 eV |
| LUMO Energy | 2.44 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | NOLBHEYCRYZQNV-QWOIFIOOSA-O |
| QR Code | Generate QR Code |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |