3-O-(2-Acetamido-2-Deoxy-6-O-Sulfo-α-D-Glucopyranosyl)-L-Idonic Acid

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Properties Simple | Detailed

Formula C14H25NO15S
IUPAC Name (2r,3s,4r,5s)-3-[(2r,3r,4r,5s,6r)-3-acetamido-4,5-dihydroxy-6-(sulfooxymethyl)tetrahydropyran-2-yl]oxy-2,4,5,6-tetrahydroxy-hexanoic acid
Molecular Mass 479.411 g·mol−1
Heat of Formation -2835.3 ± 16.7 kJ·mol−1
Dipole Moment 4.59 ± 1.08 D
Volume 497.99 Å 3
Surface Area 393.0 Å 2
HOMO Energy -9.79 ± 0.55 eV
LUMO Energy -0.51 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s,4r,5s)-3-[(2r,3r,4r,5s,6r)-3-acetamido-4,5-dihydroxy-6-(sulfooxymethyl)oxan-2-yl]oxy-2,4,5,6-tetrahydroxy-hexanoic acid
  • (2r,3s,4r,5s)-3-[(2r,3r,4r,5s,6r)-3-acetamido-4,5-dihydroxy-6-(sulfooxymethyl)oxan-2-yl]oxy-2,4,5,6-tetrahydroxyhexanoic acid
  • (2r,3s,4r,5s)-3-[(2r,3r,4r,5s,6r)-3-acetamido-4,5-dihydroxy-6-(sulfooxymethyl)tetrahydropyran-2-yl]oxy-2,4,5,6-tetrahydroxy-hexanoic acid
  • (2r,3s,4r,5s)-3-[(2r,3r,4r,5s,6r)-3-acetamido-4,5-dihydroxy-6-(sulfoxymethyl)tetrahydropyran-2-yl]oxy-2,4,5,6-tetrahydroxy-hexanoic acid
  • (2r,3s,4r,5s)-3-[[(2r,3r,4r,5s,6r)-3-acetamido-4,5-dihydroxy-6-(sulfooxymethyl)-2-tetrahydropyranyl]oxy]-2,4,5,6-tetrahydroxyhexanoic acid
  • glc-nac6s-idoa
  • o-((nalpha)-acetylglucosamine 6-sulfate)-(1-3)-idonic acid
CAS Number(s)
  • 110685-78-4
InChIKey SIGLKDHQMISGEY-YUDSPMMPSA-N
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