[(3Ar,4R,6R,6As)-2-[2-[(1S)-2-Amino-1-Hydroxy-Ethyl]Phenyl]-4-(6-Aminopurine-1,3,7-Triium-9-Yl)-3A,4,6,6A-Tetrahydrofuro[3,4-D][1,3,2]Dioxaborol-6-Yl]Methyl Dihydrogen Phosphate
Properties
| Property | Value |
|---|---|
| Formula | C18H24BN6O8P |
| IUPAC Name | [(3ar,4r,6r,6as)-2-[2-[(1s)-2-amino-1-hydroxy-ethyl]phenyl]-4-(6-aminopurine-1,3,7-triium-9-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaborol-6-yl]methyl dihydrogen phosphate |
| Molecular Mass | 494.203 g·mol−1 |
| Heat of Formation | -1645.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.44 ± 1.08 D |
| Volume | 518.74 Å 3 |
| Surface Area | 425.47 Å 2 |
| HOMO Energy | -9.02 ± 0.55 eV |
| LUMO Energy | -1.35 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | DGQWSKQXXONNQI-AJKMGBEJSA-O |
| QR Code | Generate QR Code |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C B H O N P |