(1S)-1,5-Anhydro-1-(4-Chloro-2,5-Dihydroxyphenyl)-D-Glucitol

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Formula C12H15ClO7
IUPAC Name (2s,3r,4r,5s,6r)-2-(4-chloro-2,5-dihydroxy-phenyl)-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
Molecular Mass 306.696 g·mol−1
Heat of Formation -1259.5 ± 16.7 kJ·mol−1
Dipole Moment 4.95 ± 1.08 D
Volume 322.12 Å 3
Surface Area 284.0 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy -0.56 ± eV
Point Group Symmetry C1
InChIKey LHMIFDKRIZSEFV-ZIQFBCGOSA-N
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Elements H C O Cl