Methyl 3'-Chloro-4'-(α-D-Mannopyranosyloxy)-4-Biphenylcarboxylate

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Properties Simple | Detailed

Formula C20H21ClO8
IUPAC Name methyl 4-[3-chloro-4-[(2r,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]benzoate
Molecular Mass 424.829 g·mol−1
Heat of Formation -1308.4 ± 16.7 kJ·mol−1
Dipole Moment 4.73 ± 1.08 D
Volume 466.71 Å 3
Surface Area 389.94 Å 2
HOMO Energy -9.60 ± 0.55 eV
LUMO Energy -1.04 ± eV
Point Group Symmetry C1
InChIKey UYZZOIIIXKXPFB-JGLNRKDHSA-N
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Elements H C O Cl