(2R,3S,5S)-2-(Hydroxymethyl)-5-[(2-Sulfoethyl)Carbamoyl]-3-Pyrrolidiniumyl 2-Acetamido-2-Deoxy-4-O-Sulfo-β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C16H30N3O14S2+
IUPAC Name 2-[[(2s,4s,5r)-4-[(2r,3r,4r,5s,6r)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-2-yl]oxy-5-(hydroxymethyl)pyrrolidin-1-ium-2-carbonyl]amino]ethanesulfonic acid
Molecular Mass 552.551 g·mol−1
Heat of Formation -13.9 ± 16.7 kJ·mol−1
Dipole Moment 8.87 ± 1.08 D
Volume 489.07 Å 3
Surface Area 423.35 Å 2
Point Group Symmetry C1
Synonyms
  • 2-[[(2s,4s,5r)-4-[(2r,3r,4r,5s,6r)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-sulfooxy-oxan-2-yl]oxy-5-(hydroxymethyl)pyrrolidin-1-ium-2-yl]carbonylamino]ethanesulfonic acid
  • 2-[[(2s,4s,5r)-4-[(2r,3r,4r,5s,6r)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-sulfooxy-tetrahydropyran-2-yl]oxy-5-(hydroxymethyl)pyrrolidin-1-ium-2-carbonyl]amino]ethanesulfonic acid
  • 2-[[(2s,4s,5r)-4-[(2r,3r,4r,5s,6r)-3-acetamido-4-hydroxy-6-methylol-5-sulfoxy-tetrahydropyran-2-yl]oxy-5-methylol-pyrrolidin-1-ium-2-carbonyl]amino]ethanesulfonic acid
  • 2-[[[(2s,4s,5r)-4-[[(2r,3r,4r,5s,6r)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-sulfooxy-2-tetrahydropyranyl]oxy]-5-(hydroxymethyl)-2-pyrrolidin-1-iumyl]-oxomethyl]amino]ethanesulfonic acid
  • 4-o-(4-o-sulfonyl-n-acetylglucosamininyl)-5-methylhydroxy-l-proline-taurine
  • bulgecin a
InChIKey RPNZWZDLNYCCIG-HMMVDTEZSA-O
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