(3S)-2-[({9-[(2R,3R,4S,5R)-5-({[{[(2R,3S,4R,5R)-5-(2,4-Dioxo-3,4-Dihydro-1(2H)-Pyrimidinyl)-3,4-Dihydroxytetrahydro-2-Furanyl]Methoxy}(Hydroxy)Phosphoryl]Oxy}Methyl)-3,4-Dihydroxytetrahydro-2-Furanyl]-9H-Purin-6-Yl}Carbamoyl)Amino]-3-Hydroxybutanoic Acid
Properties
| Property | Value |
|---|---|
| Formula | C24H31N8O16P |
| IUPAC Name | (2s,3s)-2-[[9-[(2r,3r,4s,5r)-5-[[[(2r,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxymethyl]-3,4-dihydroxy-tetrahydrofuran-2-yl]purin-6-yl]carbamoylamino]-3-hydroxy-butanoic acid |
| Molecular Mass | 718.521 g·mol−1 |
| Heat of Formation | -2840.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 7.35 ± 1.08 D |
| Volume | 765.26 Å 3 |
| Surface Area | 609.37 Å 2 |
| HOMO Energy | -9.62 ± 0.55 eV |
| LUMO Energy | -1.19 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | KEJRWEHAXNIPFY-CTGBXSECSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | P C H O N |