S-[2-[3-[[(2R)-2-Hydroxy-3,3-Dimethyl-4-Phosphonooxy-Butanoyl]Amino]Propanoylamino]Ethyl] Imidazol-1-Ium-4-Ylium-4-Carbothioate

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Properties Simple | Detailed

Formula C15H25N4O8PS
IUPAC Name s-[2-[3-[[(2r)-2-hydroxy-3,3-dimethyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] imidazol-1-ium-4-ylium-4-carbothioate
Molecular Mass 452.420 g·mol−1
Heat of Formation -1687.2 ± 16.7 kJ·mol−1
Dipole Moment 10.45 ± 1.08 D
Volume 506.85 Å 3
Surface Area 445.26 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy -0.88 ± eV
Point Group Symmetry C1
InChIKey MLKHCPZWKVOVCY-LBPRGKRZSA-N
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