S-[2-[3-[[(2R)-4-[(1'R,6'S,10'S,11'R,12'R)-12'-(6-Aminopurine-1,3,7-Triium-9-Yl)-11'-Hydroxy-3,4'-Dioxido-4',6'-Dioxo-Spiro[1,2-Dioxa-3Λ5-Phosphacyclopropane-3,8'-3,5,7,9,13-Pentaoxa-4Λ5,6Λ5,8Λ5-Triphosphabicyclo[8.3.0]Tridecane]-6'-Yl]Oxy-2-Hydroxy-3,3-Dimethyl-Butanoyl]Amino]Propanoylamino]Ethyl] (E)-Hex-2-Enethioate
Properties
| Property | Value |
|---|---|
| Formula | C27H44N7O17P3S |
| IUPAC Name | s-[2-[3-[[(2r)-4-[(1'r,6's,10's,11'r,12'r)-12'-(6-aminopurine-1,3,7-triium-9-yl)-11'-hydroxy-3,4'-dioxido-4',6'-dioxo-spiro[1,2-dioxa-3λ5-phosphacyclopropane-3,8'-3,5,7,9,13-pentaoxa-4λ5,6λ5,8λ5-triphosphabicyclo[8.3.0]tridecane]-6'-yl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethyl] (e)-hex-2-enethioate |
| Molecular Mass | 863.661 g·mol−1 |
| Heat of Formation | -3173.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 8.21 ± 1.08 D |
| Volume | 895.31 Å 3 |
| Surface Area | 721.0 Å 2 |
| HOMO Energy | -9.14 ± 0.55 eV |
| LUMO Energy | -1.32 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | VHDORJHIRLZRDP-IXUYQXAASA-O |
| QR Code | Generate QR Code |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C H O N P S |