Formula |
C10H12F3N3O4 |
IUPAC Name |
4-amino-1-[(2s,4r,5s)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-(trifluoromethyl)pyrimidin-3-ium-2-one |
Molecular Mass |
295.215 g·mol−1 |
Heat of Formation |
-1300.1 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.95 ± 1.08 D |
Volume |
299.78 Å 3 |
Surface Area |
267.31 Å 2 |
HOMO Energy |
-10.25 ± 0.55 eV |
LUMO Energy |
-1.02 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
XNSPCSMIPDACTB-RRKCRQDMSA-O |
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Links |
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Elements |
H
C
N
O
F
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