2-Acetamido-6-O-[(2-Aminoethyl)(Hydroxy)Phosphoryl]-2-Deoxy-α-D-Galactopyranose

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Properties Simple | Detailed

Formula C10H21N2O8P
IUPAC Name [(2r,3r,4r,5r,6s)-5-acetamido-3,4,6-trihydroxy-tetrahydropyran-2-yl]methoxy-(2-aminoethyl)phosphinic acid
Molecular Mass 328.256 g·mol−1
Heat of Formation -1769.2 ± 16.7 kJ·mol−1
Dipole Moment 4.39 ± 1.08 D
Volume 359.89 Å 3
Surface Area 315.91 Å 2
HOMO Energy -9.45 ± 0.55 eV
LUMO Energy -0.09 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3r,4r,5r,6s)-5-acetamido-3,4,6-trihydroxy-2-tetrahydropyranyl]methoxy-(2-aminoethyl)phosphinic acid
  • [(2r,3r,4r,5r,6s)-5-acetamido-3,4,6-trihydroxy-oxan-2-yl]methoxy-(2-aminoethyl)phosphinic acid
  • [(2r,3r,4r,5r,6s)-5-acetamido-3,4,6-trihydroxy-tetrahydropyran-2-yl]methoxy-(2-aminoethyl)phosphinic acid
  • [(2r,3r,4r,5r,6s)-5-acetamido-3,4,6-trihydroxyoxan-2-yl]methoxy-(2-aminoethyl)phosphinic acid
  • alpha-d-galactopyranose, 2-(acetylamino)-2-deoxy-, 6-(hydrogen(2-aminoethyl)phsophonate)
  • n-acetylgalactosamine 6-o-2-aminoethylphosphonate
  • nafaep
CAS Number(s)
  • 139039-73-9
InChIKey WNLHTZSXBJOPST-SPFKKGSWSA-N
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