1-(β-D-Glycero-Pentofuranosyl)-5-{[(2-Sulfoethyl)Amino]Methyl}-2-Thioxo-2,3-Dihydro-4(1H)-Pyrimidinone
Properties
| Property | Value |
|---|---|
| Formula | C12H19N3O8S2 |
| IUPAC Name | 2-[[1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-oxo-2-thioxo-pyrimidin-5-yl]methylamino]ethanesulfonic acid |
| Molecular Mass | 397.425 g·mol−1 |
| Heat of Formation | -1314.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.97 ± 1.08 D |
| Volume | 414.59 Å 3 |
| Surface Area | 358.48 Å 2 |
| HOMO Energy | -9.00 ± 0.55 eV |
| LUMO Energy | -1.42 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | XMIFBEZRFMTGRL-TURQNECASA-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 |