| Formula |
C10H14N5O13P3 |
| IUPAC Name |
[[(2r)-2-[(1r)-1-(6-aminopurine-1,3,7-triium-9-yl)-2-oxo-ethoxy]-3-oxo-propoxy]-hydroxy-phosphoryl] phosphono hydrogen phosphate |
| Molecular Mass |
505.165 g·mol−1 |
| Heat of Formation |
-2858.8 ± 16.7 kJ·mol−1 |
| Dipole Moment |
8.66 ± 1.08 D |
| Volume |
485.21 Å 3 |
| Surface Area |
375.0 Å 2 |
| HOMO Energy |
-9.10 ± 0.55 eV |
| LUMO Energy |
-1.72 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
JDQNGKVLLHQURW-NKWVEPMBSA-O |
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| DOI |
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|
| Elements |
P
C
H
O
N
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