(2R,3R,4S,6S)-3-Acetamido-6-(Hydroxymethyl)-2-{[(2S,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-Yl]Oxy}-4-{[(2R,3S,4R,5S,6S)-3,4,5-Trihydroxy-6-Methyltetrahydro-2H-Pyran-2-Yl]Oxy}Tetrahydro-2H-Pyran-2-Yl Dihydrogen Phosphate

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Properties Simple | Detailed

Formula C20H21NO18P
IUPAC Name [(2r,3r,4s,6s)-3-acetamido-6-(hydroxymethyl)-2-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2r,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl] dihydrogen phosphate
Molecular Mass 594.350 g·mol−1
Heat of Formation -3781.3 ± 16.7 kJ·mol−1
Dipole Moment 4.68 ± 1.08 D
Volume 652.65 Å 3
Surface Area 472.58 Å 2
HOMO Energy -9.91 ± 0.55 eV
LUMO Energy -0.46 ± eV
Point Group Symmetry C1
Synonyms
  • (galactopyranosyl(1-4)-fucopyranosyl(1-3))-n-acetylglucosamine 1-phosphate
  • [(2r,3r,4s,6s)-3-acetamido-6-(hydroxymethyl)-2-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2r,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxy-oxan-2-yl] dihydrogen phosphate
  • [(2r,3r,4s,6s)-3-acetamido-6-(hydroxymethyl)-2-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4-[(2r,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl] dihydrogen phosphate
  • [(2r,3r,4s,6s)-3-acetamido-6-(hydroxymethyl)-2-[[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4-[[(2r,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyl-2-tetrahydropyranyl]oxy]-2-tetrahydropyranyl] dihydrogen phosphate
  • [(2r,3r,4s,6s)-3-acetamido-6-methylol-2-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-4-[(2r,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl] dihydrogen phosphate
  • alpha-d-glucopyranose, o-6-deoxy-alpha-l-galactopyranosyl-(1-3)-o-(beta-d-galactopyranosyl-(1-4))-2-(acetylamino)-2-deoxy-, 1-(dihydrogen phosphate)
  • gal(1-4)(fuc(1-3))glcnac(1-p)
  • gfgp
CAS Number(s)
  • 122998-77-0
InChIKey YWPHLSNIBNZPMN-GILQHPPASA-N
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