(1R,2S,4R)-4-[4-[[(1S)-Indan-1-Yl]Amino]-6H-Pyrrolo[2,3-D]Pyrimidin-7-Ium-6-Ylium-7-Yl]-2-(Blahoxymethyl)Cyclopentanol
Properties
| Property | Value |
|---|---|
| Formula | C21H27N5O4S |
| IUPAC Name | (1r,2s,4r)-4-[4-[[(1s)-indan-1-yl]amino]-6h-pyrrolo[2,3-d]pyrimidin-7-ium-6-ylium-7-yl]-2-(blahoxymethyl)cyclopentanol |
| Molecular Mass | 445.535 g·mol−1 |
| Heat of Formation | -422.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.28 ± 1.08 D |
| Volume | 500.18 Å 3 |
| Surface Area | 414.55 Å 2 |
| HOMO Energy | -8.50 ± 0.55 eV |
| LUMO Energy | 2.79 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | XELZDROMKIYYAM-QGWWYQLQSA-O |
| QR Code | Generate QR Code |
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| Elements | H S C O N |