O-Phosphono-N-(9-Sulfanylnonanoyl)-L-Threonine

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Properties Simple | Detailed

Formula C13H26NO7PS
IUPAC Name (2s,3r)-3-phosphonooxy-2-(9-sulfanylnonanoylamino)butanoic acid
Molecular Mass 371.387 g·mol−1
Heat of Formation -1801.2 ± 16.7 kJ·mol−1
Dipole Moment 1.87 ± 1.08 D
Volume 437.36 Å 3
Surface Area 399.24 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy -0.27 ± eV
Point Group Symmetry C1
InChIKey WUTPSGIFCCYDED-PWSUYJOCSA-N
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