Methyl (6R)-5-Acetamido-3,5-Dideoxy-6-{(1R,2R)-1,2,3-Tris[(~2~H)Hydroxy]Propyl}-β-L-(O~4~-~2~H)-Threo-Hex-2-Ulopyranosidonic Acid

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Properties Simple | Detailed

Formula C12H17D4NO9
IUPAC Name (2r,4s,5r,6r)-5-acetamido-4-deuteriooxy-2-methoxy-6-[(1r,2r)-1,2,3-trideuteriooxypropyl]tetrahydropyran-2-carboxylic acid
Molecular Mass 327.321 g·mol−1
Heat of Formation -1698.5 ± 16.7 kJ·mol−1
Dipole Moment 2.60 ± 1.08 D
Volume 367.26 Å 3
Surface Area 310.1 Å 2
HOMO Energy -9.71 ± 0.55 eV
LUMO Energy 3.37 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,4s,5r,6r)-5-acetamido-4-deuteriooxy-2-methoxy-6-[(1r,2r)-1,2,3-trideuteriooxypropyl]-2-tetrahydropyrancarboxylic acid
  • (2r,4s,5r,6r)-5-acetamido-4-deuteriooxy-2-methoxy-6-[(1r,2r)-1,2,3-trideuteriooxypropyl]oxane-2-carboxylic acid
  • (2r,4s,5r,6r)-5-acetamido-4-deuteriooxy-2-methoxy-6-[(1r,2r)-1,2,3-trideuteriooxypropyl]tetrahydropyran-2-carboxylic acid
  • anamg
  • n-acetylneuraminic acid methyl alpha-glycoside
  • n-acetylneuraminic acid methyl glycoside
CAS Number(s)
  • 128643-78-7
InChIKey NJRVVFURCKKXOD-UKJQISGUSA-N
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