Methyl 4-O-(4-Thio-β-D-Glucopyranosyl)-β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C13H24O10S
IUPAC Name (2r,3r,4r,5s,6r)-5-[(2r,3r,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-sulfanyl-tetrahydropyran-2-yl]oxy-6-(hydroxymethyl)-2-methoxy-tetrahydropyran-3,4-diol
Molecular Mass 372.389 g·mol−1
Heat of Formation -1835.3 ± 16.7 kJ·mol−1
Dipole Moment 7.17 ± 1.08 D
Volume 408.35 Å 3
Surface Area 341.07 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy 2.60 ± eV
Point Group Symmetry C1
InChIKey BRRDUGSKRZQFMI-ZPYORWKPSA-N
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Elements H C S O