3-[(4-Amino-2-Methoxy-5-Pyrimidinyl)Methyl]-5-(2-{[Hydroxy(Phosphonooxy)Phosphoryl]Oxy}Ethyl)-4-Methyl-1,3-Thiazol-3-Ium

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Properties Simple | Detailed

Formula C12H22N4O8P2S
IUPAC Name [2-[3-[(4-amino-2-methoxy-pyrimidin-5-yl)methyl]-4-methyl-thiazolidine-2,4,5-triid-5-yl]ethoxy-oxido-phosphoryl] phosphate
Molecular Mass 444.338 g·mol−1
Heat of Formation -1403.9 ± 16.7 kJ·mol−1
Dipole Moment 10.11 ± 1.08 D
Volume 436.61 Å 3
Surface Area 349.03 Å 2
HOMO Energy -8.11 ± 0.55 eV
LUMO Energy -0.91 ± eV
Point Group Symmetry C1
InChIKey PWBCVHDHRGCQHM-UHFFFAOYSA-L
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