[(2R,3S,4R,5R)-5-(4-Aminopyrrolo[2,3-D]Pyrimidine-1,3-Diium-4A-Id-7-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Phosphono Hydrogen Phosphate
Properties
Property | Value |
---|---|
Formula | C11H16N4O10P2 |
IUPAC Name | [(2r,3s,4r,5r)-5-(4-aminopyrrolo[2,3-d]pyrimidine-1,3-diium-4a-id-7-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate |
Molecular Mass | 426.213 g·mol−1 |
Heat of Formation | -2213.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.87 ± 1.08 D |
Volume | 420.88 Å 3 |
Surface Area | 360.47 Å 2 |
HOMO Energy | -8.81 ± 0.55 eV |
LUMO Energy | -1.44 ± eV |
Point Group Symmetry | C1 |
InChIKey | OWBVGLGHBDCIQJ-KCGFPETGSA-O |
QR Code | Generate QR Code |
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Elements | P C H O N |