3-[(4-Amino-2-Methyl-5-Pyrimidinyl)Methyl]-2-{(9R,19R)-1-[(2R,3S,4R,5R)-5-(6-Amino-9H-Purin-9-Yl)-4-Hydroxy-3-(Phosphonooxy)Tetrahydro-2-Furanyl]-3,5,9,19-Tetrahydroxy-8,8-Dimethyl-3,5-Dioxido-10,14-Dioxo-2,4,6-Trioxa-18-Thia-11,15-Diaza-3Lambda~5~,5Lambda~5~-Diphosphanonadecan-19-Yl}-5-(2-{[Hydroxy(Phosphonooxy)Phosphoryl]Oxy}Ethyl)-4-Methyl-1,3-Thiazol-3-Ium
Properties
| Property | Value |
|---|---|
| Formula | C34H55N11O24P5S2+ |
| IUPAC Name | (e)-2-[[3-[(4-amino-2-methyl-pyrimidine-1,3-diium-5-id-5-yl)methyl]-5-[(e)-2-hydroxyvinyl]-4-methyl-thiazol-2-id-2-yl]-hydroxy-methyl]sulfonioethylidene-[3-[[2-[2-[dihydroxy-[hydroxy-(2-hydroxy-3-phosphonooxy-propoxy)phosphoryl]oxy-phosphaniumyl]oxycyclobuten-1-yl]-2-hydroxy-acetyl]amino]propanoyl]ammonium; (e)-2-(6-aminopurine-1,3,7-triium-9-yl)ethenol; hydron; phosphoroso dihydrogen phosphate; hydrate |
| Molecular Mass | 1220.859 g·mol−1 |
| Heat of Formation | 62.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 89.89 ± 1.08 D |
| Volume | 1065.04 Å 3 |
| Surface Area | 955.07 Å 2 |
| HOMO Energy | -7.19 ± 0.55 eV |
| LUMO Energy | -4.47 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | YQBMKRANULMYDX-JUQVGMLLSA-O |
| 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 |