2,5-Anhydro-3-O-α-L-Idopyranuronosyl-D-Mannitol

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Properties Simple | Detailed

Formula C12H20O11
IUPAC Name (2r,3s,4s,5r,6r)-3,4,5-trihydroxy-6-[(2r,3s,4r,5r)-4-hydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-3-yl]oxy-tetrahydropyran-2-carboxylic acid
Molecular Mass 340.281 g·mol−1
Heat of Formation -2036.4 ± 16.7 kJ·mol−1
Dipole Moment 5.31 ± 1.08 D
Volume 367.54 Å 3
Surface Area 308.79 Å 2
HOMO Energy -10.26 ± 0.55 eV
LUMO Energy 0.05 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s,4s,5r,6r)-3,4,5-trihydroxy-6-[(2r,3s,4r,5r)-4-hydroxy-2,5-bis(hydroxymethyl)oxolan-3-yl]oxy-oxane-2-carboxylic acid
  • (2r,3s,4s,5r,6r)-3,4,5-trihydroxy-6-[(2r,3s,4r,5r)-4-hydroxy-2,5-bis(hydroxymethyl)oxolan-3-yl]oxyoxane-2-carboxylic acid
  • (2r,3s,4s,5r,6r)-3,4,5-trihydroxy-6-[(2r,3s,4r,5r)-4-hydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-3-yl]oxy-tetrahydropyran-2-carboxylic acid
  • (2r,3s,4s,5r,6r)-3,4,5-trihydroxy-6-[(2r,3s,4r,5r)-4-hydroxy-2,5-dimethylol-tetrahydrofuran-3-yl]oxy-tetrahydropyran-2-carboxylic acid
  • (2r,3s,4s,5r,6r)-3,4,5-trihydroxy-6-[[(2r,3s,4r,5r)-4-hydroxy-2,5-bis(hydroxymethyl)-3-tetrahydrofuranyl]oxy]-2-tetrahydropyrancarboxylic acid
  • 2,5-anhydromannitol iduronate
  • alpha-iduronate 2,5-anhydro-d-mannitol
  • d-mannitol, 2,5-anhydro-3-o-alpha-l-idopyranuronosyl-
CAS Number(s)
  • 69180-28-5
InChIKey JRRMYAOAFIXYNJ-KNVKOCHKSA-N
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