4-Amino-7-[(2S,3S,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]Pyrrolo[2,3-D]Pyrimidin-7-Ium-5-Carbothioamide
Properties
| Property | Value |
|---|---|
| Formula | C12H15N5O4S |
| IUPAC Name | 4-amino-7-[(2s,3s,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrrolo[2,3-d]pyrimidin-7-ium-5-carbothioamide |
| Molecular Mass | 325.344 g·mol−1 |
| Heat of Formation | -448.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.83 ± 1.08 D |
| Volume | 354.79 Å 3 |
| Surface Area | 310.17 Å 2 |
| HOMO Energy | -8.58 ± 0.55 eV |
| LUMO Energy | 2.00 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | WQEXXJAMKCXPCB-HBXVMFDYSA-O |
| QR Code | Generate QR Code |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H S C O N |