6-Cyclohexyl-2-(4-Cyclohexylbutyl)-2-({[4-O-(α-D-Glucopyranosyl)-Beta-D-Glucopyranosyl]Oxy}Methyl)Hexyl 4-O-α-D-Glucopyranosyl-Beta-D-Glucopyranoside

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Properties Simple | Detailed

Formula C47H84O22
IUPAC Name (2r,3r,4s,5s,6r)-2-[(2r,3s,4r,5r,6r)-6-[6-cyclohexyl-2-(4-cyclohexylbutyl)-2-[[(2r,3r,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxymethyl]hexoxy]-4,5-dihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
Molecular Mass 1001.157 g·mol−1
Heat of Formation -4467.0 ± 16.7 kJ·mol−1
Dipole Moment 3.56 ± 1.08 D
Volume 1211.98 Å 3
Surface Area 933.92 Å 2
HOMO Energy -10.46 ± 0.55 eV
LUMO Energy 0.82 ± eV
Point Group Symmetry C1
InChIKey IBVSQWFQEONEKZ-VWHTXWAPSA-N
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Elements H C O