[(2S,3S,4R,5R)-5-(6-Amino-8H-Purin-9-Ium-8-Ylium-9-Yl)-3-[[(2S)-2-Formamido-4-Methylsulfanyl-Butanoyl]Amino]-4-Hydroxy-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate

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Properties Simple | Detailed

Formula C16H24N7O8PS
IUPAC Name [(2s,3s,4r,5r)-5-(6-amino-8h-purin-9-ium-8-ylium-9-yl)-3-[[(2s)-2-formamido-4-methylsulfanyl-butanoyl]amino]-4-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 505.443 g·mol−1
Heat of Formation -1479.8 ± 16.7 kJ·mol−1
Dipole Moment 5.11 ± 1.08 D
Volume 540.68 Å 3
Surface Area 452.5 Å 2
HOMO Energy -8.40 ± 0.55 eV
LUMO Energy -0.66 ± eV
Point Group Symmetry C1
InChIKey FMKRZAWRBRBXQE-GBPQWNHNSA-N
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