Methyl 2-Deoxy-6-O-Sulfo-2-(Sulfoamino)-α-D-Glucopyranosyl-(1->4)-Beta-D-Glucopyranuronosyl-(1->4)-2-Deoxy-3,6-Di-O-Sulfo-2-(Sulfoamino)-α-D-Glucopyranosyl-(1->4)-2-O-Sulfo-α-L-Idopyranuronosyl-(1->4)-2-Deoxy-6-O-Sulfo-2-(Sulfoamino)-α-D-Glucopyranoside

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Properties Simple | Detailed

Formula C31H53N3O49S8
IUPAC Name (2s,3s,4r,5r,6r)-6-[(2r,3r,4r,5r,6r)-6-[(2r,3s,4s,5r,6r)-2-carboxy-4-hydroxy-6-[(2r,3s,4r,5r,6s)-4-hydroxy-5-(hydroxysulfonylamino)-2-(hydroxysulfonyloxymethyl)-6-methoxy-tetrahydropyran-3-yl]oxy-5-hydroxysulfonyloxy-tetrahydropyran-3-yl]oxy-5-(hydroxysulfonylamino)-4-hydroxysulfonyloxy-2-(hydroxysulfonyloxymethyl)tetrahydropyran-3-yl]oxy-3-[(2r,3r,4r,5s,6r)-4,5-dihydroxy-3-(hydroxysulfonylamino)-6-(hydroxysulfonyloxymethyl)tetrahydropyran-2-yl]oxy-4,5-dihydroxy-tetrahydropyran-2-carboxylic acid
Molecular Mass 1508.263 g·mol−1
Heat of Formation -8928.1 ± 16.7 kJ·mol−1
Dipole Moment 7.12 ± 1.08 D
Volume 1375.24 Å 3
Surface Area 924.32 Å 2
HOMO Energy -9.98 ± 0.55 eV
LUMO Energy -1.31 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s,4s,5r,6r)-3-[(2r,3r,4r,5r,6r)-5-[(2r,3r,4r,5s,6s)-6-carboxy-5-[(2r,3r,4r,5s,6r)-4,5-dihydroxy-3-(sulfoamino)-6-(sulfooxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-oxan-2-yl]oxy-3-(sulfoamino)-4-sulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxy-4-hydroxy-6-[(2r,3s,4r,5r,6s)-4-hydroxy-6-methoxy-5-(sulfoamino)-2-(sulfooxymethyl)oxan-3-yl]oxy-5-sulfooxy-oxane-2-carboxylic acid
  • (2r,3s,4s,5r,6r)-3-[(2r,3r,4r,5r,6r)-5-[(2r,3r,4r,5s,6s)-6-carboxy-5-[(2r,3r,4r,5s,6r)-4,5-dihydroxy-3-(sulfoamino)-6-(sulfooxymethyl)oxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3-(sulfoamino)-4-sulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxy-4-hydroxy-6-[(2r,3s,4r,5r,6s)-4-hydroxy-6-methoxy-5-(sulfoamino)-2-(sulfooxymethyl)oxan-3-yl]oxy-5-sulfooxyoxane-2-carboxylic acid
  • (2r,3s,4s,5r,6r)-3-[(2r,3r,4r,5r,6r)-5-[(2r,3r,4r,5s,6s)-6-carboxy-5-[(2r,3r,4r,5s,6r)-4,5-dihydroxy-3-(sulfoamino)-6-(sulfooxymethyl)tetrahydropyran-2-yl]oxy-3,4-dihydroxy-tetrahydropyran-2-yl]oxy-3-(sulfoamino)-4-sulfooxy-6-(sulfooxymethyl)tetrahydropyran-2-yl]oxy-4-hydroxy-6-[(2r,3s,4r,5r,6s)-4-hydroxy-6-methoxy-5-(sulfoamino)-2-(sulfooxymethyl)tetrahydropyran-3-yl]oxy-5-sulfooxy-tetrahydropyran-2-carboxylic acid
  • (2r,3s,4s,5r,6r)-3-[(2r,3r,4r,5r,6r)-5-[(2r,3r,4r,5s,6s)-6-carboxy-5-[(2r,3r,4r,5s,6r)-4,5-dihydroxy-3-(sulfoamino)-6-(sulfoxymethyl)tetrahydropyran-2-yl]oxy-3,4-dihydroxy-tetrahydropyran-2-yl]oxy-3-(sulfoamino)-4-sulfoxy-6-(sulfoxymethyl)tetrahydropyran-2-yl]oxy-4-hydroxy-6-[(2r,3s,4r,5r,6s)-4-hydroxy-6-methoxy-5-(sulfoamino)-2-(sulfoxymethyl)tetrahydropyran-3-yl]oxy-5-sulfoxy-tetrahydropyran-2-carboxylic acid
  • (2r,3s,4s,5r,6r)-3-[[(2r,3r,4r,5r,6r)-5-[[(2r,3r,4r,5s,6s)-6-carboxy-5-[[(2r,3r,4r,5s,6r)-4,5-dihydroxy-3-(sulfoamino)-6-(sulfooxymethyl)-2-tetrahydropyranyl]oxy]-3,4-dihydroxy-2-tetrahydropyranyl]oxy]-3-(sulfoamino)-4-sulfooxy-6-(sulfooxymethyl)-2-tetrahydropyranyl]oxy]-4-hydroxy-6-[[(2r,3s,4r,5r,6s)-4-hydroxy-6-methoxy-5-(sulfoamino)-2-(sulfooxymethyl)-3-tetrahydropyranyl]oxy]-5-sulfooxy-2-tetrahydropyrancarboxylic acid
  • nto
  • trisulfoamino heparin pentasaccharide
InChIKey KANJSNBRCNMZMV-ABRZTLGGSA-N
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