(2S)-2-Amino-4-[[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl-[2-(Benzothiophen-3-Yl)Ethyl]Amino]Butanoic Acid
Properties
| Property | Value |
|---|---|
| Formula | C24H29N7O5S |
| IUPAC Name | (2s)-2-amino-4-[[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl-[2-(benzothiophen-3-yl)ethyl]amino]butanoic acid |
| Molecular Mass | 527.596 g·mol−1 |
| Heat of Formation | -503.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.87 ± 1.08 D |
| Volume | 611.02 Å 3 |
| Surface Area | 495.3 Å 2 |
| HOMO Energy | -8.44 ± 0.55 eV |
| LUMO Energy | -0.62 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | VLHLQLFDJXPNCM-PISIQOCNSA-O |
| QR Code | Generate QR Code |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C S O N |