β-D-Glucopyranosyl-(1->4)-β-D-Mannopyranosyl-(1->4)-D-Glucose

Molecule SVG Image

Properties Simple | Detailed

Formula C18H32O16
IUPAC Name [(2r,3s,4s,5r,6s)-6-[(2r,3s,4r,5s,6s)-6-(1-formyl-2-oxo-ethoxy)-4,5-dihydroxy-2-(oxidomethyl)tetrahydropyran-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]methanolate; methanone
Molecular Mass 504.437 g·mol−1
Heat of Formation -2946.3 ± 16.7 kJ·mol−1
Dipole Moment 7.73 ± 1.08 D
Volume 543.42 Å 3
Surface Area 428.54 Å 2
HOMO Energy -10.09 ± 0.55 eV
LUMO Energy 0.21 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4r,5r)-4-[(2s,3s,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxan-2-yl]oxy-2,3,5,6-tetrahydroxy-hexanal
  • (2r,3r,4r,5r)-4-[(2s,3s,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,3,5,6-tetrahydroxyhexanal
  • (2r,3r,4r,5r)-4-[(2s,3s,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-2,3,5,6-tetrahydroxy-hexanal
  • (2r,3r,4r,5r)-4-[(2s,3s,4r,5s,6r)-3,4-dihydroxy-6-methylol-5-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-2,3,5,6-tetrahydroxy-hexanal
  • (2r,3r,4r,5r)-4-[[(2s,3s,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-2-tetrahydropyranyl]oxy]-2,3,5,6-tetrahydroxyhexanal
  • d-glc, o-beta-glc-(1-4)-o-beta-d-mannopyranosyl
  • d-glucose, o-beta-d-glucopyranosyl, (1-4)-o-beta-d-mannopyranosyl
  • d-glucose, o-d-glucopyranosyl-(1-4)-o-d-mannopyranosyl-(1-4)
  • glc-glc-(1-4)-mannopyranosyl
CAS Number(s)
  • 59905-64-5
InChIKey RXVWSYJTUUKTEA-LGHPQPSGSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O