Formula |
C15H20N4O4S |
IUPAC Name |
(2s)-2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-thiazol-3-ium-2-yl]-2-hydroxy-propanoate |
Molecular Mass |
352.409 g·mol−1 |
Heat of Formation |
1644.2 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.96 ± 1.08 D |
Volume |
355.0 Å 3 |
Surface Area |
308.38 Å 2 |
HOMO Energy |
-9.35 ± 0.55 eV |
LUMO Energy |
-1.78 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
DDZPSVZOYAVAJF-OAHLLOKOSA-N |
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Links |
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Elements |
S
C
O
N
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