4-Deoxy-2-O-Sulfo-α-L-Threo-Hex-4-Enopyranuronic Acid

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Properties Simple | Detailed

Formula C6H8O9S
IUPAC Name (2r,3r,4s)-2,4-dihydroxy-3-sulfooxy-3,4-dihydro-2h-pyran-6-carboxylic acid
Molecular Mass 256.187 g·mol−1
Heat of Formation -1546.7 ± 16.7 kJ·mol−1
Dipole Moment 4.94 ± 1.08 D
Volume 237.87 Å 3
Surface Area 223.81 Å 2
HOMO Energy -10.86 ± 0.55 eV
LUMO Energy -1.41 ± eV
Point Group Symmetry C1
Synonyms
  • (4s,5r,6r)-4,6-dihydroxy-5-sulfooxy-5,6-dihydro-4h-pyran-2-carboxylic acid
  • (4s,5r,6r)-4,6-dihydroxy-5-sulfoxy-5,6-dihydro-4h-pyran-2-carboxylic acid
InChIKey VJIMUKBSNUBECH-YKKSOZKNSA-N
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