(2R,4S,5R,6R)-2-{[{[(2R,3S,4R,5R)-5-(4-Amino-2-Oxo-1(2H)-Pyrimidinyl)-3,4-Dihydroxytetrahydro-2-Furanyl]Methoxy}(Hydroxy)Phosphoryl]Oxy}-4,5-Dihydroxy-6-[(1R,2R)-1,2,3-Trihydroxypropyl]Tetrahydro-2H-Pyran-2-Carboxylic Acid
Properties
| Property | Value |
|---|---|
| Formula | C18H28N3O16P |
| IUPAC Name | (2r,4s,5r,6r)-2-[[(2r,3s,4r,5r)-5-(4-amino-2-oxo-pyrimidin-3-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-4,5-dihydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid |
| Molecular Mass | 573.399 g·mol−1 |
| Heat of Formation | -3194.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.51 ± 1.08 D |
| Volume | 585.27 Å 3 |
| Surface Area | 436.01 Å 2 |
| HOMO Energy | -9.69 ± 0.55 eV |
| LUMO Energy | -0.60 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | SFLGTPJBQWRIMH-PSGWYZSOSA-O |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | P C H O N |