Rutinose (β-Anomer)

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Formula C12H22O10
IUPAC Name (2r,3r,4s,5s,6r)-6-[[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2,3,4,5-tetrol
Molecular Mass 326.297 g·mol−1
Heat of Formation -1870.9 ± 16.7 kJ·mol−1
Dipole Moment 4.62 ± 1.08 D
Volume 365.95 Å 3
Surface Area 302.77 Å 2
HOMO Energy -10.14 ± 0.55 eV
LUMO Energy 1.09 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4s,5s,6r)-6-[[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-2-tetrahydropyranyl]oxymethyl]tetrahydropyran-2,3,4,5-tetrol
  • (2r,3r,4s,5s,6r)-6-[[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
  • (2r,3r,4s,5s,6r)-6-[[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2,3,4,5-tetrol
  • (2r,3r,4s,5s,6r)-6-[[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
  • rutinose
CAS Number(s)
  • 90-74-4
InChIKey OVVGHDNPYGTYIT-BNXXONSGSA-N
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