Bacillithiol

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Formula C13H22N2O10S
IUPAC Name (2s)-2-[(2r,3r,4r,5s,6r)-3-[[(2r)-2-amino-3-sulfanyl-propanoyl]amino]-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxybutanedioic acid
Molecular Mass 398.386 g·mol−1
Heat of Formation -1899.3 ± 16.7 kJ·mol−1
Dipole Moment 5.73 ± 1.08 D
Volume 435.58 Å 3
Surface Area 347.89 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy -0.42 ± eV
Point Group Symmetry C1
InChIKey UHNHELGKNQMNGF-AOQKXWSCSA-N
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