N-[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]Purine-1,3,7-Triium-6-Yl]Butanamide
Properties
| Property | Value |
|---|---|
| Formula | C14H18N5O7P |
| IUPAC Name | n-[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]purine-1,3,7-triium-6-yl]butanamide |
| Molecular Mass | 399.296 g·mol−1 |
| Heat of Formation | -1198.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.83 ± 1.08 D |
| Volume | 413.83 Å 3 |
| Surface Area | 371.39 Å 2 |
| HOMO Energy | -9.40 ± 0.55 eV |
| LUMO Energy | -0.91 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | IXCFTCYNNPNKJN-FRJWGUMJSA-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 |