3-O-(2-O-Acetyl-6-Deoxy-α-L-Mannopyranosyl)-4-[(Carboxyacetyl)Amino]-4,6-Dideoxy-Beta-D-Glucopyranose

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Properties Simple | Detailed

Formula C17H27NO12
IUPAC Name 3-[[(2r,3r,4s,5r,6r)-4-[(2s,3r,4r,5r,6s)-3-acetoxy-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-5,6-dihydroxy-2-methyl-tetrahydropyran-3-yl]amino]-3-oxo-propanoic acid
Molecular Mass 437.396 g·mol−1
Heat of Formation -2316.3 ± 16.7 kJ·mol−1
Dipole Moment 4.99 ± 1.08 D
Volume 487.51 Å 3
Surface Area 387.32 Å 2
HOMO Energy -9.88 ± 0.55 eV
LUMO Energy 0.30 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[[(2r,3r,4s,5r,6r)-4-[(2s,3r,4r,5r,6s)-3-acetoxy-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-5,6-dihydroxy-2-methyl-tetrahydropyran-3-yl]amino]-3-keto-propionic acid
  • 3-[[(2r,3r,4s,5r,6r)-4-[(2s,3r,4r,5r,6s)-3-acetoxy-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-5,6-dihydroxy-2-methyl-tetrahydropyran-3-yl]amino]-3-oxo-propanoic acid
  • 3-[[(2r,3r,4s,5r,6r)-4-[(2s,3r,4r,5r,6s)-3-acetyloxy-4,5-dihydroxy-6-methyl-oxan-2-yl]oxy-5,6-dihydroxy-2-methyl-oxan-3-yl]amino]-3-oxo-propanoic acid
  • 3-[[(2r,3r,4s,5r,6r)-4-[(2s,3r,4r,5r,6s)-3-acetyloxy-4,5-dihydroxy-6-methyloxan-2-yl]oxy-5,6-dihydroxy-2-methyloxan-3-yl]amino]-3-oxopropanoic acid
  • 3-[[(2r,3r,4s,5r,6r)-4-[[(2s,3r,4r,5r,6s)-3-acetoxy-4,5-dihydroxy-6-methyl-2-tetrahydropyranyl]oxy]-5,6-dihydroxy-2-methyl-3-tetrahydropyranyl]amino]-3-oxopropanoic acid
  • 4,6-dideoxy-4-malonylamino-d-glucose
  • 4,6-dideoxy-4-malonylaminoglucose
  • qui4nmal
CAS Number(s)
  • 151299-42-2
InChIKey YEXKHDSGIBZZPH-FSIRCQHCSA-N
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