5-(Dimethylamino)-N-(4-{[4-O-(β-D-Galactopyranosyl)-β-D-Glucopyranosyl]Oxy}Phenyl)-1-Naphthalenesulfonamide

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Properties Simple | Detailed

Formula C30H38N2O13S
IUPAC Name 2-[6-[1-ethynyl-3-(sulfinatoamino)prop-2-ynoxy]-2-isocyanato-4,5-dioxo-pyran-3-yl]oxy-3,4,5-trioxo-6-(oxomethylene)tetrahydropyran
Molecular Mass 666.693 g·mol−1
Heat of Formation -2056.3 ± 16.7 kJ·mol−1
Dipole Moment 4.13 ± 1.08 D
Volume 741.9 Å 3
Surface Area 566.51 Å 2
HOMO Energy -8.37 ± 0.55 eV
LUMO Energy -0.99 ± eV
Point Group Symmetry C1
Synonyms
  • n-[4-[(2s,3r,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxan-2-yl]oxyphenyl]-5-dimethylamino-naphthalene-1-sulfonamide
  • n-[4-[(2s,3r,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyphenyl]-5-dimethylaminonaphthalene-1-sulfonamide
  • n-[4-[(2s,3r,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxyphenyl]-5-dimethylamino-naphthalene-1-sulfonamide
  • n-[4-[(2s,3r,4r,5s,6r)-3,4-dihydroxy-6-methylol-5-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxyphenyl]-5-dimethylamino-naphthalene-1-sulfonamide
  • n-[4-[[(2s,3r,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-[[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-2-tetrahydropyranyl]oxy]phenyl]-5-dimethylamino-1-naphthalenesulfonamide
InChIKey XRZMMUOXWCCJGA-HMOUPJFISA-N
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