7-Cyclohexylheptyl 4-O-α-D-Glucopyranosyl-Beta-D-Glucopyranoside

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Properties Simple | Detailed

Formula C25H46O11
IUPAC Name (2r,3r,4s,5s,6r)-2-[(2r,3s,4r,5r,6r)-6-(7-cyclohexylheptoxy)-4,5-dihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
Molecular Mass 522.626 g·mol−1
Heat of Formation -2281.8 ± 16.7 kJ·mol−1
Dipole Moment 4.99 ± 1.08 D
Volume 638.67 Å 3
Surface Area 538.45 Å 2
HOMO Energy -10.43 ± 0.55 eV
LUMO Energy 3.85 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4s,5s,6r)-2-[(2r,3s,4r,5r,6r)-6-(7-cyclohexylheptoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
  • (2r,3r,4s,5s,6r)-2-[(2r,3s,4r,5r,6r)-6-(7-cyclohexylheptoxy)-4,5-dihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
  • (2r,3r,4s,5s,6r)-2-[(2r,3s,4r,5r,6r)-6-(7-cyclohexylheptoxy)-4,5-dihydroxy-2-methylol-tetrahydropyran-3-yl]oxy-6-methylol-tetrahydropyran-3,4,5-triol
  • (2r,3r,4s,5s,6r)-2-[[(2r,3s,4r,5r,6r)-6-(7-cyclohexylheptoxy)-4,5-dihydroxy-2-(hydroxymethyl)-3-tetrahydropyranyl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
InChIKey BEKAVONQUWHNMM-IYBATYGCSA-N
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