4,6-Dideoxy-4-{[(1S,4R,5R,6S)-4-{[4-O-(α-D-Glucopyranosyl)-α-D-Glucopyranosyl]Oxy}-5,6-Dihydroxy-3-(Hydroxymethyl)-2-Cyclohexen-1-Yl]Amino}-α-D-Glucopyranosyl-(1->4)-α-D-Glucopyranosyl-(1->4)-α-D-Glucopyranose

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Properties Simple | Detailed

Formula C37H63NO28
IUPAC Name (2r,3r,4s,5s,6r)-2-[(2r,3s,4r,5r,6s)-6-[(1r,4s,5s,6r)-4-[[(2r,3s,4s,5r,6r)-6-[(2r,3s,4r,5r,6r)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2r,3s,4r,5r,6s)-4,5,6-trihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-tetrahydropyran-3-yl]oxy-4,5-dihydroxy-2-methyl-tetrahydropyran-3-yl]amino]-5,6-dihydroxy-2-(hydroxymethyl)cyclohex-2-en-1-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
Molecular Mass 969.886 g·mol−1
Heat of Formation -5256.6 ± 16.7 kJ·mol−1
Dipole Moment 6.81 ± 1.08 D
Volume 1065.51 Å 3
Surface Area 780.19 Å 2
HOMO Energy -9.51 ± 0.55 eV
LUMO Energy 0.41 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4s,5s,6r)-2-[(2r,3s,4r,5r,6s)-6-[[(1r,4s,5s,6r)-4-[[(2r,3s,4s,5r,6r)-6-[(2r,3s,4r,5r,6r)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2r,3s,4r,5r,6s)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]amino]-5,6-dihydroxy-2-(hydroxymethyl)-1-cyclohex-2-enyl]oxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
  • 4,6-dideoxy-4-{[4-[(4-o-hexopyranosylhexopyranosyl)oxy]-5,6-dihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}hexopyranosyl-(1->4)hexopyranosyl-(1->4)hexopyranose
  • aao
InChIKey HAWINQMQXQMONI-OBPZNAFQSA-N
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