S-[2-[3-[[(2S)-2-Hydroxy-3,3-Dimethyl-4-Phosphonooxy-Butanoyl]Amino]Propanoylamino]Ethyl] (3R)-3-Hydroxyoctanethioate

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Properties Simple | Detailed

Formula C19H37N2O9PS
IUPAC Name s-[2-[3-[[(2s)-2-hydroxy-3,3-dimethyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] (3r)-3-hydroxyoctanethioate
Molecular Mass 500.544 g·mol−1
Heat of Formation -2184.7 ± 16.7 kJ·mol−1
Dipole Moment 7.31 ± 1.08 D
Volume 604.75 Å 3
Surface Area 527.5 Å 2
HOMO Energy -9.29 ± 0.55 eV
LUMO Energy -0.58 ± eV
Point Group Symmetry C1
InChIKey FOTLWMVULALMIY-RHSMWYFYSA-N
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