(4E)-4-[3-[(4-Amino-2-Methyl-Pyrimidin-5-Yl)Methyl]-5-[2-[Hydroxy(Phosphonooxy)Phosphoryl]Oxyethyl]-4-Methyl-Thiazol-2-Ylidene]-4-Hydroxy-Butanoic Acid

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Properties Simple | Detailed

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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