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

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Properties Simple | Detailed

Formula C36H60O55S9
IUPAC Name (2s,3s,4s,5r,6r)-6-[(2r,3r,4s,5r,6r)-6-[(2r,3s,4s,5r,6r)-2-carboxy-4-methoxy-6-[(2r,3r,4s,5r,6s)-6-methoxy-4,5-disulfooxy-2-(sulfooxymethyl)tetrahydropyran-3-yl]oxy-5-sulfooxy-tetrahydropyran-3-yl]oxy-4,5-disulfooxy-2-(sulfooxymethyl)tetrahydropyran-3-yl]oxy-3-[(2r,3r,4s,5r,6r)-4,5-dimethoxy-3-sulfooxy-6-(sulfooxymethyl)tetrahydropyran-2-yl]oxy-4,5-dimethoxy-tetrahydropyran-2-carboxylic acid
Molecular Mass 1661.414 g·mol−1
Heat of Formation -9677.5 ± 16.7 kJ·mol−1
Dipole Moment 6.01 ± 1.08 D
Volume 1561.88 Å 3
Surface Area 1045.47 Å 2
HOMO Energy -9.71 ± 0.55 eV
LUMO Energy -0.99 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s,4s,5r,6r)-6-[(2r,3r,4s,5r,6r)-6-[(2r,3s,4s,5r,6r)-2-carboxy-4-methoxy-6-[(2r,3r,4s,5r,6s)-6-methoxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-5-sulfooxy-oxan-3-yl]oxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-3-[(2r,3r,4s,5r,6r)-4,5-dimethoxy-3-sulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxy-4,5-dimethoxy-oxane-2-carboxylic acid
  • (2s,3s,4s,5r,6r)-6-[(2r,3r,4s,5r,6r)-6-[(2r,3s,4s,5r,6r)-2-carboxy-4-methoxy-6-[(2r,3r,4s,5r,6s)-6-methoxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-5-sulfooxyoxan-3-yl]oxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-3-[(2r,3r,4s,5r,6r)-4,5-dimethoxy-3-sulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylic acid
  • (2s,3s,4s,5r,6r)-6-[(2r,3r,4s,5r,6r)-6-[(2r,3s,4s,5r,6r)-2-carboxy-4-methoxy-6-[(2r,3r,4s,5r,6s)-6-methoxy-4,5-disulfooxy-2-(sulfooxymethyl)tetrahydropyran-3-yl]oxy-5-sulfooxy-tetrahydropyran-3-yl]oxy-4,5-disulfooxy-2-(sulfooxymethyl)tetrahydropyran-3-yl]oxy-3-[(2r,3r,4s,5r,6r)-4,5-dimethoxy-3-sulfooxy-6-(sulfooxymethyl)tetrahydropyran-2-yl]oxy-4,5-dimethoxy-tetrahydropyran-2-carboxylic acid
  • (2s,3s,4s,5r,6r)-6-[(2r,3r,4s,5r,6r)-6-[(2r,3s,4s,5r,6r)-2-carboxy-4-methoxy-6-[(2r,3r,4s,5r,6s)-6-methoxy-4,5-disulfoxy-2-(sulfoxymethyl)tetrahydropyran-3-yl]oxy-5-sulfoxy-tetrahydropyran-3-yl]oxy-4,5-disulfoxy-2-(sulfoxymethyl)tetrahydropyran-3-yl]oxy-3-[(2r,3r,4s,5r,6r)-4,5-dimethoxy-3-sulfoxy-6-(sulfoxymethyl)tetrahydropyran-2-yl]oxy-4,5-dimethoxy-tetrahydropyran-2-carboxylic acid
  • (2s,3s,4s,5r,6r)-6-[[(2r,3r,4s,5r,6r)-6-[[(2r,3s,4s,5r,6r)-2-carboxy-4-methoxy-6-[[(2r,3r,4s,5r,6s)-6-methoxy-4,5-disulfooxy-2-(sulfooxymethyl)-3-tetrahydropyranyl]oxy]-5-sulfooxy-3-tetrahydropyranyl]oxy]-4,5-disulfooxy-2-(sulfooxymethyl)-3-tetrahydropyranyl]oxy]-3-[[(2r,3r,4s,5r,6r)-4,5-dimethoxy-3-sulfooxy-6-(sulfooxymethyl)-2-tetrahydropyranyl]oxy]-4,5-dimethoxy-2-tetrahydropyrancarboxylic acid
  • heparin pentasaccharide
  • ntp
InChIKey MQLWHPBUPXUQHM-XAYBSJBFSA-N
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