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->6)-Beta-D-Glucopyranose

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Properties Simple | Detailed

Formula C37H63NO28
IUPAC Name (2r,3r,4s,5s,6r)-6-[[(2s,3r,4r,5s,6r)-5-[(2r,3r,4s,5s,6r)-5-[[(1s,4r,5r,6s)-4-[(2s,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]oxy-5,6-dihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]-3,4-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2,3,4,5-tetrol
Molecular Mass 969.886 g·mol−1
Heat of Formation -5238.2 ± 16.7 kJ·mol−1
Dipole Moment 5.55 ± 1.08 D
Volume 1063.0 Å 3
Surface Area 777.67 Å 2
HOMO Energy -9.49 ± 0.55 eV
LUMO Energy 0.42 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4s,5s,6r)-6-[[(2s,3r,4r,5s,6r)-5-[(2r,3r,4s,5s,6r)-5-[[(1s,4r,5r,6s)-4-[(2s,3r,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxan-2-yl]oxy-5,6-dihydroxy-3-(hydroxymethyl)-1-cyclohex-2-enyl]amino]-3,4-dihydroxy-6-methyl-oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
  • (2r,3r,4s,5s,6r)-6-[[(2s,3r,4r,5s,6r)-5-[(2r,3r,4s,5s,6r)-5-[[(1s,4r,5r,6s)-4-[(2s,3r,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,6-dihydroxy-3-(hydroxymethyl)-1-cyclohex-2-enyl]amino]-3,4-dihydroxy-6-methyloxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
  • (2r,3r,4s,5s,6r)-6-[[(2s,3r,4r,5s,6r)-5-[(2r,3r,4s,5s,6r)-5-[[(1s,4r,5r,6s)-4-[(2s,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]oxy-5,6-dihydroxy-3-(hydroxymethyl)-1-cyclohex-2-enyl]amino]-3,4-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2,3,4,5-tetrol
  • (2r,3r,4s,5s,6r)-6-[[(2s,3r,4r,5s,6r)-5-[(2r,3r,4s,5s,6r)-5-[[(1s,4r,5r,6s)-4-[(2s,3r,4r,5s,6r)-3,4-dihydroxy-6-methylol-5-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-5,6-dihydroxy-3-methylol-1-cyclohex-2-enyl]amino]-3,4-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-3,4-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2,3,4,5-tetrol
  • (2r,3r,4s,5s,6r)-6-[[(2s,3r,4r,5s,6r)-5-[[(2r,3r,4s,5s,6r)-5-[[(1s,4r,5r,6s)-4-[[(2s,3r,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-2-tetrahydropyranyl]oxy]-5,6-dihydroxy-3-(hydroxymethyl)-1-cyclohex-2-enyl]amino]-3,4-dihydroxy-6-methyl-2-tetrahydropyranyl]oxy]-3,4-dihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxymethyl]tetrahydropyran-2,3,4,5-tetrol
  • 4,6-dideoxy-4-{[(4r,5r)-4-[(4-o-alpha-d-erythro-hexopyranosyl-alpha-d-erythro-hexopyranosyl)oxy]-5,6-dihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-beta-d-lyxo-hexopyranosyl-(1->4)-alpha-d-xylo-hexopyranosyl-(1->6)-beta-d-arabino-hexopyranose
  • 6sa
  • acarbose derived hexasaccharide
InChIKey MBNITLCAVXHYER-DHAMQIFDSA-N
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