[(3R)-3-[(2-Amino-6-Oxo-3H-Purine-1,7-Diium-4-Id-9-Yl)Methoxy]-4-Hydroxy-Butyl]-Ethoxy-Phosphinic Acid
Properties
Property | Value |
---|---|
Formula | C12H22N5O6P+ |
IUPAC Name | [(3r)-3-[(2-amino-6-oxo-3h-purine-1,7-diium-4-id-9-yl)methoxy]-4-hydroxy-butyl]-ethoxy-phosphinic acid |
Molecular Mass | 363.307 g·mol−1 |
Heat of Formation | -1084.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 15.17 ± 1.08 D |
Volume | 400.04 Å 3 |
Surface Area | 341.67 Å 2 |
HOMO Energy | -8.94 ± 0.55 eV |
LUMO Energy | -0.43 ± eV |
Point Group Symmetry | C1 |
InChIKey | ZJUAVBWXCMCTFY-MRVPVSSYSA-P |
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Elements | P C H O N |