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

Molecule SVG Image

Properties Simple | Detailed

Formula C25H43NO18
IUPAC Name 6-[[(1r)-1-formylallyl]amino]-2,3-dioxo-4-(oxomethylene)hexa-4,5-dienal; (2s,4r,5s)-6-oxo-5-[(1s)-2-oxo-1-[4,5,6-trioxo-2-(oxomethyl)tetrahydropyran-2,3-diid-3-yl]oxy-ethoxy]-1,3-dioxane-2,4-dicarbaldehyde
Molecular Mass 645.605 g·mol−1
Heat of Formation -3328.6 ± 16.7 kJ·mol−1
Dipole Moment 5.70 ± 1.08 D
Volume 720.08 Å 3
Surface Area 545.84 Å 2
HOMO Energy -9.14 ± 0.55 eV
LUMO Energy 0.73 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4r,5s,6r)-5-[(2r,3r,4r,5s,6r)-5-[(2r,3r,4s,5s,6r)-3,4-dihydroxy-6-methyl-5-[[(1s,4s,5s,6s)-4,5,6-trihydroxy-3-(hydroxymethyl)-1-cyclohex-2-enyl]amino]oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol
  • (2r,3r,4r,5s,6r)-5-[(2r,3r,4r,5s,6r)-5-[(2r,3r,4s,5s,6r)-3,4-dihydroxy-6-methyl-5-[[(1s,4s,5s,6s)-4,5,6-trihydroxy-3-(hydroxymethyl)-1-cyclohex-2-enyl]amino]tetrahydropyran-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-6-(hydroxymethyl)tetrahydropyran-2,3,4-triol
  • (2r,3r,4r,5s,6r)-5-[(2r,3r,4r,5s,6r)-5-[(2r,3r,4s,5s,6r)-3,4-dihydroxy-6-methyl-5-[[(1s,4s,5s,6s)-4,5,6-trihydroxy-3-methylol-1-cyclohex-2-enyl]amino]tetrahydropyran-2-yl]oxy-3,4-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-6-methylol-tetrahydropyran-2,3,4-triol
  • (2r,3r,4r,5s,6r)-5-[[(2r,3r,4r,5s,6r)-5-[[(2r,3r,4s,5s,6r)-3,4-dihydroxy-6-methyl-5-[[(1s,4s,5s,6s)-4,5,6-trihydroxy-3-(hydroxymethyl)-1-cyclohex-2-enyl]amino]-2-tetrahydropyranyl]oxy]-3,4-dihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-6-(hydroxymethyl)tetrahydropyran-2,3,4-triol
  • 4,6-dideoxy-4-{[(1s,4s,5s,6s)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranosyl-(1->4)-d-glucose
  • acarbose
  • acarbose (jan/usan/inn)
  • d00216
  • precose
CAS Number(s)
  • 56180-94-0
InChIKey XUFXOAAUWZOOIT-JMPDRRIHSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N