Formula |
C16H24N4O10P2S |
IUPAC Name |
(4e)-4-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-5-[2-[hydroxy(phosphonooxy)phosphoryl]oxyethyl]-4-methyl-thiazole-1,3-diium-2-ylidene]-4-hydroxy-butanoic acid |
Molecular Mass |
526.395 g·mol−1 |
Heat of Formation |
-2320.4 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.23 ± 1.08 D |
Volume |
556.49 Å 3 |
Surface Area |
465.6 Å 2 |
HOMO Energy |
-7.67 ± 0.55 eV |
LUMO Energy |
-1.18 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
VGWJMSNWDAXPBE-FOWTUZBSSA-N |
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Links |
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Elements |
C
H
O
N
P
S
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