9-[(2S,4Ar,6R,7R,7As)-2,7-Dihydroxy-2-Oxo-4A,6,7,7A-Tetrahydro-4H-Furo[3,2-D][1,3,2]Dioxaphosphinin-6-Yl]-2-Amino-8-(4-Chlorophenyl)Sulfanyl-3H-Purine-1,7-Diium-4-Id-6-One
Properties
| Property | Value |
|---|---|
| Formula | C16H17ClN5O7PS+ |
| IUPAC Name | 9-[(2s,4ar,6r,7r,7as)-2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-amino-8-(4-chlorophenyl)sulfanyl-3h-purine-1,7-diium-4-id-6-one |
| Molecular Mass | 489.827 g·mol−1 |
| Heat of Formation | -1087.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 8.40 ± 1.08 D |
| Volume | 481.06 Å 3 |
| Surface Area | 386.0 Å 2 |
| HOMO Energy | -9.12 ± 0.55 eV |
| LUMO Energy | -1.00 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | MTYVJCHUNZWCDI-IDTAVKCVSA-P |
| QR Code | Generate QR Code |
| Links | |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C Cl H O N P S |