(2S,3R)-2-[[[9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Phosphonooxymethyl)Tetrahydrofuran-2-Yl]Purine-1,3,7-Triium-6-Yl]-Methyl-Carbamoyl]Amino]-3-Hydroxy-Butanoic Acid
Properties
| Property | Value |
|---|---|
| Formula | C16H25N6O11P |
| IUPAC Name | (2s,3r)-2-[[[9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yl]purine-1,3,7-triium-6-yl]-methyl-carbamoyl]amino]-3-hydroxy-butanoic acid |
| Molecular Mass | 508.377 g·mol−1 |
| Heat of Formation | -2078.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.11 ± 1.08 D |
| Volume | 524.63 Å 3 |
| Surface Area | 440.36 Å 2 |
| HOMO Energy | -9.32 ± 0.55 eV |
| LUMO Energy | -1.01 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | VZGGCEHGPTZUHE-KQSSXJRRSA-O |
| QR Code | Generate QR Code |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | P C H O N |