7-[(6-Deoxy-α-L-Mannopyranosyl)Oxy]-5-Hydroxy-2-(4-Hydroxyphenyl)-4-Oxo-4H-Chromen-3-Yl 2,3-Di-O-Acetyl-6-Deoxy-α-L-Mannopyranoside

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Properties Simple | Detailed

Formula C31H34O16
IUPAC Name [(2s,3r,4r,5s,6s)-3-acetoxy-5-hydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-chromen-3-yl]oxy-6-methyl-tetrahydropyran-4-yl] acetate
Molecular Mass 662.592 g·mol−1
Heat of Formation -2715.9 ± 16.7 kJ·mol−1
Dipole Moment 7.29 ± 1.08 D
Volume 713.62 Å 3
Surface Area 565.22 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy -0.92 ± eV
Point Group Symmetry C1
Synonyms
  • [(2s,3r,4r,5s,6s)-3-acetoxy-5-hydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-chromen-3-yl]oxy-6-methyl-tetrahydropyran-4-yl] acetate
  • [(2s,3r,4r,5s,6s)-3-acetyloxy-5-hydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxy-chromen-3-yl]oxy-6-methyl-oxan-4-yl] ethanoate
  • acetic acid [(2s,3r,4r,5s,6s)-3-acetoxy-5-hydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-4-keto-7-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-chromen-3-yl]oxy-6-methyl-tetrahydropyran-4-yl] ester
  • acetic acid [(2s,3r,4r,5s,6s)-3-acetoxy-5-hydroxy-2-[[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-[[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-2-tetrahydropyranyl]oxy]-3-chromenyl]oxy]-6-methyl-4-tetrahydropyranyl] ester
InChIKey FRCCTBPYYAMKIB-REFSOVMKSA-N
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