Adenosine, 5'-O-[Hydroxy[[Hydroxy[(3R)-3-Hydroxy-4-[[3-[[2-[[(2S,3S)-3-Hydroxy-2-Methyl-1-Oxobutyl]Thio]Ethyl]Amino]-3-Oxopropyl]Amino]-2,2-Dimethyl-4-Oxobutoxy]Phosphinyl]Oxy]Phosphinyl]-, 3'-(Dihydrogen Phosphate), Ion(4-)
Properties
| Property | Value |
|---|---|
| Formula | C26H40N7O18P3S---- |
| IUPAC Name | [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[(3r)-3-hydroxy-4-[[3-[2-[(2s,3s)-3-hydroxy-2-methylbutanoyl]sulfanylethylamino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] phosphate |
| Molecular Mass | 863.618 g·mol−1 |
| Heat of Formation | -388.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.23 ± 1.08 D |
| Volume | 829.74 Å 3 |
| Surface Area | 568.0 Å 2 |
| HOMO Energy | -8.51 ± 0.55 eV |
| LUMO Energy | -2.64 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | PEKYNTFSOBAABV-LQUDNSJZSA-J |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | P C S O N |