Methyl (6R)-5-Acetamido-4-O-Acetyl-3,5-Dideoxy-6-[(1S,2R)-1,2,3-Triacetoxypropyl]-β-L-Threo-Hex-2-Ulopyranosidonic Acid

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Properties Simple | Detailed

Formula C20H29NO13
IUPAC Name (2r,4s,5r,6r)-5-acetamido-4-acetoxy-6-[(1s,2r)-1,2-diacetoxy-3-formyloxy-propyl]-2-methoxy-tetrahydropyran-2-carboxylate
Molecular Mass 491.443 g·mol−1
Heat of Formation -2524.6 ± 16.7 kJ·mol−1
Dipole Moment 5.05 ± 1.08 D
Volume 549.16 Å 3
Surface Area 415.04 Å 2
HOMO Energy -9.79 ± 0.55 eV
LUMO Energy 0.44 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,4s,5r,6r)-5-acetamido-4-acetoxy-2-methoxy-6-[(1s,2r)-1,2,3-triacetoxypropyl]-2-tetrahydropyrancarboxylic acid
  • (2r,4s,5r,6r)-5-acetamido-4-acetoxy-2-methoxy-6-[(1s,2r)-1,2,3-triacetoxypropyl]tetrahydropyran-2-carboxylic acid
  • (2r,4s,5r,6r)-5-acetamido-4-acetyloxy-2-methoxy-6-[(1s,2r)-1,2,3-triacetyloxypropyl]oxane-2-carboxylic acid
  • 2-o-methyl-4,7,8,9-tetra-o-acetyl-n-acetyl-alpha-d-neuraminic acid
  • d-glycero-alpha-d-galacto-2-nonulopyranosidonic acid, methyl 5-(acetylamino)-3,5-dideoxy-, 4,7,8,9-tetraacetate
CAS Number(s)
  • 50669-91-5
InChIKey OACJSJXGBWIXRR-UMCYSPNLSA-N
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