1,6-Dichloro-1,6-Dideoxy-β-D-Fructofuranosyl 4-Chloro-4-Deoxy-β-L-Allopyranoside

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Properties Simple | Detailed

Formula C12H19Cl3O8
IUPAC Name (2r,3s,4r,5r,6s)-2-[(2r,3r,4r,5s)-2,5-bis(chloromethyl)-3,4-dihydroxy-tetrahydrofuran-2-yl]oxy-5-chloro-6-(hydroxymethyl)tetrahydropyran-3,4-diol
Molecular Mass 397.633 g·mol−1
Heat of Formation -1653.9 ± 16.7 kJ·mol−1
Dipole Moment 2.01 ± 1.08 D
Volume 397.3 Å 3
Surface Area 312.17 Å 2
HOMO Energy -10.25 ± 0.55 eV
LUMO Energy 0.28 ± eV
Point Group Symmetry C1
InChIKey BAQAVOSOZGMPRM-HRKDJDBJSA-N
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Elements H C O Cl