Methyl (1S,4Ar,5R,6R,7S,7Ar)-1-(Hexopyranosyloxy)-4A,5,6-Trihydroxy-7-Methyl-1,4A,5,6,7,7A-Hexahydrocyclopenta[C]Pyran-4-Carboxylate

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Formula C17H26O12
IUPAC Name methyl (1s,4ar,5r,6r,7s,7ar)-4a,5,6-trihydroxy-7-methyl-1-[(2r,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-5,6,7,7a-tetrahydro-1h-cyclopenta[c]pyran-4-carboxylate
Molecular Mass 422.381 g·mol−1
Heat of Formation -2260.5 ± 16.7 kJ·mol−1
Dipole Moment 2.58 ± 1.08 D
Volume 452.22 Å 3
Surface Area 337.78 Å 2
HOMO Energy -10.23 ± 0.55 eV
LUMO Energy -0.51 ± eV
Point Group Symmetry C1
InChIKey LGTHGFVYOAZGBN-NEMFGZDKSA-N
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