[(2R,3S,4R,5R)-4-Hydroxy-5-(6-Oxo-3H-Purine-1,7-Diium-4-Id-9-Yl)-3-Sulfooxy-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate
Properties
Property | Value |
---|---|
Formula | C10H15N4O11PS+ |
IUPAC Name | [(2r,3s,4r,5r)-4-hydroxy-5-(6-oxo-3h-purine-1,7-diium-4-id-9-yl)-3-sulfooxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate |
Molecular Mass | 430.285 g·mol−1 |
Heat of Formation | -1963.0 ± 16.7 kJ·mol−1 |
Dipole Moment | 10.12 ± 1.08 D |
Volume | 399.47 Å 3 |
Surface Area | 344.63 Å 2 |
HOMO Energy | -9.08 ± 0.55 eV |
LUMO Energy | 1.85 ± eV |
Point Group Symmetry | C1 |
InChIKey | GHIKOACBSBIWRA-KQYNXXCUSA-P |
QR Code | Generate QR Code |
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Elements | C H O N P S |