(6R)-5-Amino-1,3,5-Trideoxy-6-[(1R,2R)-1,2,3-Trihydroxypropyl]-α-L-Threo-Hex-2-Ulopyranose

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Properties Simple | Detailed

Formula C9H19NO6
IUPAC Name (1r,2r)-1-[(2r,3r,4s,6r)-3-amino-4,6-dihydroxy-6-methyl-tetrahydropyran-2-yl]propane-1,2,3-triol
Molecular Mass 237.250 g·mol−1
Heat of Formation -1232.9 ± 16.7 kJ·mol−1
Dipole Moment 4.12 ± 1.08 D
Volume 281.89 Å 3
Surface Area 247.35 Å 2
HOMO Energy -9.66 ± 0.55 eV
LUMO Energy 4.58 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,2r)-1-[(2r,3r,4s,6r)-3-amino-4,6-dihydroxy-6-methyl-2-tetrahydropyranyl]propane-1,2,3-triol
  • (1r,2r)-1-[(2r,3r,4s,6r)-3-amino-4,6-dihydroxy-6-methyl-oxan-2-yl]propane-1,2,3-triol
  • (1r,2r)-1-[(2r,3r,4s,6r)-3-amino-4,6-dihydroxy-6-methyl-tetrahydropyran-2-yl]propane-1,2,3-triol
  • (1r,2r)-1-[(2r,3r,4s,6r)-3-amino-4,6-dihydroxy-6-methyloxan-2-yl]propane-1,2,3-triol
  • neuraminin
  • ni-289
CAS Number(s)
  • 63346-33-8
InChIKey DDUSOVXOHFJEPC-IXTJBZSOSA-N
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