2-Deoxy-4-O-(4-Deoxy-2-O-Sulfonato-α-L-Threo-Hex-4-Enopyranuronosyl)-2-(Sulfonatoamino)-α-D-Glucopyranose

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Properties Simple | Detailed

Formula C12H19NO16S2
IUPAC Name (4s,5r,6r)-6-[(2r,3s,4r,5r,6s)-4,6-dihydroxy-2-(hydroxymethyl)-5-(sulfonatoamino)oxan-3-yl]oxy-4-hydroxy-5-sulfonatooxy-5,6-dihydro-4h-pyran-2-carboxylate
Molecular Mass 497.406 g·mol−1
Heat of Formation -2103.7 ± 16.7 kJ·mol−1
Dipole Moment 10.11 ± 1.08 D
Volume 465.27 Å 3
Surface Area 380.33 Å 2
Point Group Symmetry C1
Synonyms
  • (4s,5r,6r)-6-[(2r,3s,4r,5r,6s)-4,6-dihydroxy-2-(hydroxymethyl)-5-(sulfonatoamino)tetrahydropyran-3-yl]oxy-4-hydroxy-5-sulfonatooxy-5,6-dihydro-4h-pyran-2-carboxylate
  • (4s,5r,6r)-6-[(2r,3s,4r,5r,6s)-4,6-dihydroxy-2-methylol-5-(sulfonatoamino)tetrahydropyran-3-yl]oxy-4-hydroxy-5-sulfato-5,6-dihydro-4h-pyran-2-carboxylate
  • (4s,5r,6r)-6-[[(2r,3s,4r,5r,6s)-4,6-dihydroxy-2-(hydroxymethyl)-5-(sulfonatoamino)-3-tetrahydropyranyl]oxy]-4-hydroxy-5-sulfonatooxy-5,6-dihydro-4h-pyran-2-carboxylate
  • h3s
  • heparin disaccharide iii-s
InChIKey GSYQGRODWXMUOO-GYBHJADLSA-K
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