Formula |
C10H12ClN5O4 |
IUPAC Name |
2-amino-8-chloro-9-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3h-purin-6-one |
Molecular Mass |
301.686 g·mol−1 |
Heat of Formation |
-471.4 ± 16.7 kJ·mol−1 |
Dipole Moment |
10.68 ± 1.08 D |
Volume |
308.49 Å 3 |
Surface Area |
266.79 Å 2 |
HOMO Energy |
-9.05 ± 0.55 eV |
LUMO Energy |
-0.33 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
IMJGYHICYATNGZ-VPENINKCSA-N |
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Elements |
H
C
N
O
Cl
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