7-{[(2R,3R,4S)-3,4-Dihydroxy-2-(Hydroxymethyl)-1-Pyrrolidinyl]Methyl}Thieno[3,2-D]Pyrimidin-4(1H)-One
Properties
| Property | Value |
|---|---|
| Formula | C12H15N3O4S |
| IUPAC Name | (1s,2r,3r,4s)-2-(hydroxymethyl)-1-[(4-hydroxythieno[3,2-d]pyrimidin-7-yl)methyl]pyrrolidine-3,4-diol |
| Molecular Mass | 297.330 g·mol−1 |
| Heat of Formation | -498.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.87 ± 1.08 D |
| Volume | 326.45 Å 3 |
| Surface Area | 283.31 Å 2 |
| HOMO Energy | -8.80 ± 0.55 eV |
| LUMO Energy | 1.82 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | UZJHCHSHAYEOTK-KHQFGBGNSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C S O N |