4-Aminophenyl 6-O-Phosphono-α-D-Mannopyranoside

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Properties Simple | Detailed

Formula C12H18NO9P
IUPAC Name [(2r,3s,4s,5s,6r)-6-(4-aminophenoxy)-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl dihydrogen phosphate
Molecular Mass 351.246 g·mol−1
Heat of Formation -1854.6 ± 16.7 kJ·mol−1
Dipole Moment 3.96 ± 1.08 D
Volume 369.22 Å 3
Surface Area 321.5 Å 2
HOMO Energy -8.24 ± 0.55 eV
LUMO Energy -0.04 ± eV
Point Group Symmetry C1
Synonyms
  • 4-aminophenyl 6-phospho-alpha-d-mannopyranoside
  • 4-aminophenyl 6-phospho-alpha-mannopyranoside
  • 4-appm
  • [(2r,3s,4s,5s,6r)-6-(4-aminophenoxy)-3,4,5-trihydroxy-2-tetrahydropyranyl]methyl dihydrogen phosphate
  • [(2r,3s,4s,5s,6r)-6-(4-aminophenoxy)-3,4,5-trihydroxy-oxan-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4s,5s,6r)-6-(4-aminophenoxy)-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4s,5s,6r)-6-(4-aminophenoxy)-3,4,5-trihydroxyoxan-2-yl]methyl dihydrogen phosphate
CAS Number(s)
  • 74160-60-4
InChIKey CJTXANSQOPINCC-GCHJQGSQSA-N
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