2-[(2E)-3-[(4-Amino-2-Methyl-Pyrimidine-1,3-Diium-5-Id-5-Yl)Methyl]-2-(1-Hydroxy-2-Methyl-Propylidene)-4-Methyl-Thiazole-1,3-Diium-5-Yl]Ethyl Phosphono Hydrogen Phosphate

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Properties Simple | Detailed

Formula C16H26N4O8P2S
IUPAC Name 2-[(2e)-3-[(4-amino-2-methyl-pyrimidine-1,3-diium-5-id-5-yl)methyl]-2-(1-hydroxy-2-methyl-propylidene)-4-methyl-thiazole-1,3-diium-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 1.12 ± 1.08 D
Volume 537.17 Å 3
Surface Area 431.25 Å 2
HOMO Energy -7.71 ± 0.55 eV
LUMO Energy -1.23 ± eV
Point Group Symmetry C1
InChIKey ADAWYRPGDWOAKA-UHFFFAOYSA-N
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