2-[3-[(4-Amino-2-Methyl-Pyrimidin-5-Yl)Methyl]-2-(1-Hydroxy-2-Methyl-Propyl)-4-Methyl-Thiazol-3-Ium-5-Yl]Ethyl Phosphono Hydrogen Phosphate

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Properties Simple | Detailed

Formula C16H26N4O8P2S
IUPAC Name 2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-2-(1-hydroxy-2-methyl-propyl)-4-methyl-thiazolidine-2,4,5-triid-5-yl]ethyl phosphono hydrogen phosphate
Molecular Mass 496.412 g·mol−1
Heat of Formation -1979.8 ± 16.7 kJ·mol−1
Dipole Moment 1.11 ± 1.08 D
Volume 536.86 Å 3
Surface Area 430.92 Å 2
HOMO Energy -7.71 ± 0.55 eV
LUMO Energy 1.77 ± eV
Point Group Symmetry C1
InChIKey VBABUKBBNKNHAI-UHFFFAOYSA-N
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