Formula |
C12H15N3O4 |
IUPAC Name |
4-amino-1-[(2r,4r,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-prop-1-ynyl-pyrimidin-3-ium-2-one |
Molecular Mass |
265.265 g·mol−1 |
Heat of Formation |
-455.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.46 ± 1.08 D |
Volume |
302.39 Å 3 |
Surface Area |
277.84 Å 2 |
HOMO Energy |
-9.02 ± 0.55 eV |
LUMO Energy |
-0.58 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
ZRFXOICDDKDRNA-IVZWLZJFSA-O |
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Elements |
H
C
O
N
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