2-Amino-2-Deoxy-6-O-Phosphono-β-D-Glucopyranose

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Properties Simple | Detailed

Formula C6H14NO8P
IUPAC Name [(2r,3s,4r,5r,6r)-5-amino-3,4,6-trihydroxy-tetrahydropyran-2-yl]methyl dihydrogen phosphate
Molecular Mass 259.151 g·mol−1
Heat of Formation -1778.4 ± 16.7 kJ·mol−1
Dipole Moment 3.76 ± 1.08 D
Volume 263.82 Å 3
Surface Area 243.34 Å 2
HOMO Energy -9.70 ± 0.55 eV
LUMO Energy -0.32 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3s,4r,5r,6r)-5-amino-3,4,6-trihydroxy-2-tetrahydropyranyl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r,6r)-5-amino-3,4,6-trihydroxy-oxan-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r,6r)-5-amino-3,4,6-trihydroxy-tetrahydropyran-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r,6r)-5-amino-3,4,6-trihydroxyoxan-2-yl]methyl dihydrogen phosphate
InChIKey XHMJOUIAFHJHBW-QZABAPFNSA-N
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