(2R,4S,5R,6R)-5-Acetamido-2-({(2R,3R,4R,5R,6S)-5-Acetamido-6-[(2S)-2-Amino-2-Carboxyethoxy]-3,4-Dihydroxytetrahydro-2H-Pyran-2-Yl}Methoxy)-4-Hydroxy-6-[(1R,2R)-1,2,3-Trihydroxypropyl]Tetrahydro-2H-Pyran-2-Carboxylic Acid

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Properties Simple | Detailed

Formula C22H37N3O16
IUPAC Name (2r,4s,5r,6r)-5-acetamido-2-[[(2r,3r,4r,5r,6s)-5-acetamido-6-[(2s)-2-amino-2-carboxy-ethoxy]-3,4-dihydroxy-tetrahydropyran-2-yl]methoxy]-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid
Molecular Mass 599.540 g·mol−1
Heat of Formation -3052.6 ± 16.7 kJ·mol−1
Dipole Moment 6.07 ± 1.08 D
Volume 655.75 Å 3
Surface Area 512.81 Å 2
HOMO Energy -9.69 ± 0.55 eV
LUMO Energy 0.21 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,4s,5r,6r)-5-acetamido-2-[[(2r,3r,4r,5r,6s)-5-acetamido-6-[(2s)-2-amino-3-hydroxy-3-keto-propoxy]-3,4-dihydroxy-tetrahydropyran-2-yl]methoxy]-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid
  • (2r,4s,5r,6r)-5-acetamido-2-[[(2r,3r,4r,5r,6s)-5-acetamido-6-[(2s)-2-amino-3-hydroxy-3-oxo-propoxy]-3,4-dihydroxy-oxan-2-yl]methoxy]-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
  • (2r,4s,5r,6r)-5-acetamido-2-[[(2r,3r,4r,5r,6s)-5-acetamido-6-[(2s)-2-amino-3-hydroxy-3-oxo-propoxy]-3,4-dihydroxy-tetrahydropyran-2-yl]methoxy]-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid
  • (2r,4s,5r,6r)-5-acetamido-2-[[(2r,3r,4r,5r,6s)-5-acetamido-6-[(2s)-2-amino-3-hydroxy-3-oxopropoxy]-3,4-dihydroxy-2-tetrahydropyranyl]methoxy]-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]-2-tetrahydropyrancarboxylic acid
  • (2r,4s,5r,6r)-5-acetamido-2-[[(2r,3r,4r,5r,6s)-5-acetamido-6-[(2s)-2-amino-3-hydroxy-3-oxopropoxy]-3,4-dihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
  • 3-o-(2-acetamido-6-o-(n-acetyl-alpha-d-neuraminyl)-2-deoxy-alpha-d-galactosyl)-l-serine
  • 3-o-(2-acetamido-6-o-(n-acetylneuraminyl)-2-deoxygalactosyl)serine
  • aandgs
CAS Number(s)
  • 114661-01-7
InChIKey RMINQIRDFIBNLE-NNRWGFCXSA-N
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