Formula |
C9H12IN3O4 |
IUPAC Name |
4-amino-1-[(2r,4r,5s)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-iodo-pyrimidin-3-ium-2-one |
Molecular Mass |
353.114 g·mol−1 |
Heat of Formation |
-559.4 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.14 ± 1.08 D |
Volume |
291.58 Å 3 |
Surface Area |
261.54 Å 2 |
HOMO Energy |
-8.72 ± 0.55 eV |
LUMO Energy |
2.52 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
WEVJJMPVVFNAHZ-DSYKOEDSSA-N |
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Elements |
I
H
C
O
N
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