2-(3-Hydroxy-4-Methoxyphenyl)Ethyl 3-O-(6-Deoxy-α-L-Mannopyranosyl)-Beta-D-Glucopyranoside

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Properties Simple | Detailed

Formula C21H32O12
IUPAC Name (2s,3r,4r,5r,6s)-2-[(2r,3r,4s,5r,6r)-3,5-dihydroxy-2-[2-(3-hydroxy-4-methoxy-phenyl)ethoxy]-6-(hydroxymethyl)tetrahydropyran-4-yl]oxy-6-methyl-tetrahydropyran-3,4,5-triol
Molecular Mass 476.472 g·mol−1
Heat of Formation -2147.1 ± 16.7 kJ·mol−1
Dipole Moment 3.00 ± 1.08 D
Volume 536.3 Å 3
Surface Area 449.73 Å 2
HOMO Energy -8.53 ± 0.55 eV
LUMO Energy 0.12 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r,4r,5r,6s)-2-[(2r,3r,4s,5r,6r)-3,5-dihydroxy-2-[2-(3-hydroxy-4-methoxy-phenyl)ethoxy]-6-(hydroxymethyl)oxan-4-yl]oxy-6-methyl-oxane-3,4,5-triol
  • (2s,3r,4r,5r,6s)-2-[(2r,3r,4s,5r,6r)-3,5-dihydroxy-2-[2-(3-hydroxy-4-methoxy-phenyl)ethoxy]-6-(hydroxymethyl)tetrahydropyran-4-yl]oxy-6-methyl-tetrahydropyran-3,4,5-triol
  • (2s,3r,4r,5r,6s)-2-[(2r,3r,4s,5r,6r)-3,5-dihydroxy-2-[2-(3-hydroxy-4-methoxy-phenyl)ethoxy]-6-methylol-tetrahydropyran-4-yl]oxy-6-methyl-tetrahydropyran-3,4,5-triol
  • (2s,3r,4r,5r,6s)-2-[(2r,3r,4s,5r,6r)-3,5-dihydroxy-2-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-6-(hydroxymethyl)oxan-4-yl]oxy-6-methyloxane-3,4,5-triol
  • (2s,3r,4r,5r,6s)-2-[[(2r,3r,4s,5r,6r)-3,5-dihydroxy-2-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-6-(hydroxymethyl)-4-tetrahydropyranyl]oxy]-6-methyltetrahydropyran-3,4,5-triol
InChIKey MMRYSDPTALIPSP-MGXJDOAZSA-N
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