[(2R,3S,4S,5S)-5-(2-Amino-6-Oxo-3H-Purine-1,7-Diium-4-Id-9-Yl)-4-Hydroxy-2-[(1R)-1-Phosphonooxyethyl]Tetrahydrofuran-3-Yl] 2-Aminoacetate
Properties
Property | Value |
---|---|
Formula | C13H21N6O9P+ |
IUPAC Name | [(2r,3s,4s,5s)-5-(2-amino-6-oxo-3h-purine-1,7-diium-4-id-9-yl)-4-hydroxy-2-[(1r)-1-phosphonooxyethyl]tetrahydrofuran-3-yl] 2-aminoacetate |
Molecular Mass | 436.314 g·mol−1 |
Heat of Formation | -1674.3 ± 16.7 kJ·mol−1 |
Dipole Moment | 15.59 ± 1.08 D |
Volume | 455.8 Å 3 |
Surface Area | 359.79 Å 2 |
HOMO Energy | -8.82 ± 0.55 eV |
LUMO Energy | -0.80 ± eV |
Point Group Symmetry | C1 |
InChIKey | KZMDMHLHDFKCJR-JXOUQWPZSA-P |
QR Code | Generate QR Code |
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Elements | P C H O N |