(1R)-1,5-Anhydro-1-[4-Chloro-3-(4-Ethoxybenzyl)Phenyl]-D-Glucitol

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Properties Simple | Detailed

Formula C21H25ClO6
IUPAC Name (2r,3r,4r,5s,6r)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
Molecular Mass 408.873 g·mol−1
Heat of Formation -1020.5 ± 16.7 kJ·mol−1
Dipole Moment 2.18 ± 1.08 D
Volume 465.36 Å 3
Surface Area 396.38 Å 2
HOMO Energy -8.58 ± 0.55 eV
LUMO Energy 2.88 ± eV
Point Group Symmetry C1
InChIKey JVHXJTBJCFBINQ-YMQHIKHWSA-N
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Elements H C O Cl