(2S)-2-[(3A'S,4R,6R,12A'S)-5',11'-Diamino-2',3,9',9'-Tetrahydroxy-2,3'-Dioxo-2',3',3A',12A'-Tetrahydro-1'H-Spiro[1,3-Oxazinane-6,8'-Pyrimido[1,6,5-Gh]Pyrrolo[1,2-C]Purin]-4-Yl]-3-Hydroxypropyl Hydrogen Sulfate
Properties
| Property | Value |
|---|---|
| Formula | C16H24N8O12S |
| IUPAC Name | (2s)-2-[(3a's,4r,6r,12a's)-5',11'-diamino-2',3,9',9'-tetrahydroxy-2,3'-dioxo-2',3',3a',12a'-tetrahydro-1'h-spiro[1,3-oxazinane-6,8'-pyrimido[1,6,5-gh]pyrrolo[1,2-c]purin]-4-yl]-3-hydroxypropyl hydrogen sulfate |
| Molecular Mass | 552.473 g·mol−1 |
| Heat of Formation | -1570.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.16 ± 1.08 D |
| Volume | 552.3 Å 3 |
| Surface Area | 447.93 Å 2 |
| HOMO Energy | -9.48 ± 0.55 eV |
| LUMO Energy | -0.16 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | KRRJLHUVFILNLG-FKOGTDRGSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H S C O N |