[(2R,3S,5S)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3-Hydroxy-Tetrahydropyran-2-Yl]Methyl Dihydrogen Phosphate
Properties
Property | Value |
---|---|
Formula | C11H18N5O6P |
IUPAC Name | [(2r,3s,5s)-5-(6-aminopurine-1,3,7-triium-9-yl)-3-hydroxy-tetrahydropyran-2-yl]methyl dihydrogen phosphate |
Molecular Mass | 347.264 g·mol−1 |
Heat of Formation | -1142.0 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.48 ± 1.08 D |
Volume | 361.97 Å 3 |
Surface Area | 319.62 Å 2 |
HOMO Energy | -9.04 ± 0.55 eV |
LUMO Energy | -0.50 ± eV |
Point Group Symmetry | C1 |
InChIKey | WJAJVLYQFDPFFE-BIIVOSGPSA-O |
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Elements | P C H O N |