6-Deoxy-4-O-B-D-Glucopyranosyl-L-Mannose

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Properties Simple | Detailed

Formula C12H22O10
IUPAC Name (2r,3s,4s,5s)-2,3,5-trihydroxy-4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-hexanal
Molecular Mass 326.297 g·mol−1
Heat of Formation -1866.1 ± 16.7 kJ·mol−1
Dipole Moment 1.35 ± 1.08 D
Volume 366.53 Å 3
Surface Area 308.41 Å 2
HOMO Energy -10.36 ± 0.55 eV
LUMO Energy 0.22 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s,4s,5s)-2,3,5-trihydroxy-4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-hexanal
  • (2r,3s,4s,5s)-2,3,5-trihydroxy-4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanal
  • (2r,3s,4s,5s)-2,3,5-trihydroxy-4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-hexanal
  • (2r,3s,4s,5s)-2,3,5-trihydroxy-4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-hexanal
  • (2r,3s,4s,5s)-2,3,5-trihydroxy-4-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]hexanal
InChIKey XAVVYCXXDSHXNS-ULUQPUQLSA-N
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