N-(4'-Amino-4-Biphenylyl)-β-D-Glucopyranuronosylamine

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Properties Simple | Detailed

Formula C18H20N2O6
IUPAC Name (2s,3s,4s,5r,6r)-6-[4-(4-aminophenyl)anilino]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
Molecular Mass 360.361 g·mol−1
Heat of Formation -892.5 ± 16.7 kJ·mol−1
Dipole Moment 4.50 ± 1.08 D
Volume 409.87 Å 3
Surface Area 364.14 Å 2
HOMO Energy -8.16 ± 0.55 eV
LUMO Energy 0.07 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s,4s,5r,6r)-6-[[4-(4-aminophenyl)phenyl]amino]-3,4,5-trihydroxy-2-tetrahydropyrancarboxylic acid
  • (2s,3s,4s,5r,6r)-6-[[4-(4-aminophenyl)phenyl]amino]-3,4,5-trihydroxy-oxane-2-carboxylic acid
  • (2s,3s,4s,5r,6r)-6-[[4-(4-aminophenyl)phenyl]amino]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
  • (2s,3s,4s,5r,6r)-6-[[4-(4-aminophenyl)phenyl]amino]-3,4,5-trihydroxyoxane-2-carboxylic acid
  • benzidine n-glucuronide
  • beta-d-glucopyranuronic acid, 1-((4'-amino(1,1'-biphenyl)-4-yl)amino)-1-deoxy-
CAS Number(s)
  • 85559-86-0
InChIKey DWBONMREIKATNQ-ZOFXXKQRSA-N
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