2-Aminophenyl β-D-Glucopyranosiduronic Acid

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Properties Simple | Detailed

Formula C12H15NO7
IUPAC Name (2s,3s,4s,5r,6s)-6-(2-aminophenoxy)-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
Molecular Mass 285.250 g·mol−1
Heat of Formation -1190.7 ± 16.7 kJ·mol−1
Dipole Moment 2.76 ± 1.08 D
Volume 306.48 Å 3
Surface Area 268.6 Å 2
HOMO Energy -8.40 ± 0.55 eV
LUMO Energy -0.19 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s,4s,5r,6s)-6-(2-aminophenoxy)-3,4,5-trihydroxy-2-tetrahydropyrancarboxylic acid
  • (2s,3s,4s,5r,6s)-6-(2-aminophenoxy)-3,4,5-trihydroxy-oxane-2-carboxylic acid
  • (2s,3s,4s,5r,6s)-6-(2-aminophenoxy)-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
  • (2s,3s,4s,5r,6s)-6-(2-aminophenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
  • 2-aminophenyl .beta.-d-glucopyranosiduronic acid
  • 2-aminophenylglucuronide
  • o-aminophenyl .beta.-d-glucuronide
  • o-aminophenyl beta-d-glucopyranosiduronic acid
CAS Number(s)
  • 15959-03-2
InChIKey ZVFVTBSWJWONEI-GOVZDWNOSA-N
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