3-[(4-Amino-2-Methyl-5-Pyrimidinyl)Methyl]-5-(2-{[Hydroxy(Phosphonooxy)Phosphoryl]Oxy}Ethyl)-2-[(1S,2E)-1-Hydroxy-3-(3-Pyridinyl)-2-Propen-1-Yl]-4-Methyl-1,3-Thiazol-3-Ium

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Properties Simple | Detailed

Formula C20H29N5O8P2S
IUPAC Name 2-[(3s)-3-[(4-amino-2-methyl-pyrimidine-1,3-diium-5-id-5-yl)methyl]-2-[(e,1s)-1-hydroxy-3-pyridin-1-ium-3-id-3-yl-allyl]-4-methyl-thiazol-2-id-5-yl]ethyl phosphono hydrogen phosphate
Molecular Mass 561.485 g·mol−1
Heat of Formation -1755.4 ± 16.7 kJ·mol−1
Dipole Moment 8.94 ± 1.08 D
Volume 602.98 Å 3
Surface Area 415.02 Å 2
Point Group Symmetry C1
InChIKey HUCLASQGRJZNFE-RTRPANQVSA-O
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