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Chemical structure of D-Octamannuronic acid

GC60788

D-Octamannuronic acid

Also known as (2S,3S,4S,5S,6R)-6-[(2S,3S,4R,5S,6R)-2-carboxy-6-[(2S,3S,4R,5S,6R)-2-carboxy-6-[(2S,3S,4R,5S,6R)-2-carboxy-6-[(2S,3S,4R,5S,6R)-2-carboxy-6-[(2S,3S,4R,5S,6R)-2-carboxy-6-[(2S,3S,4R,5S,6R)-2-carboxy-6-[(2S,3S,4R,5S,6R)-2-carboxy-4,5,6-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

D-Octamannuronic acid, an alginate oligomer, is produced by marine brown algae and by a limited range of Gram negative bacteria

ChemicalCAS862694-98-2MW1427.01FormulaC48H66O49
CAS number
862694-98-2
Molecular weight
1427.01
Formula
C48H66O49
InChIKey
TYKJWORTIBLUFL-KNFIUSBISA-N
Catalogue number
GC60788
Brand
GLPBIO
Computed properties PubChem CID 162642256 · XLogP -15.6 · TPSA 801 Ų · H-bond donors 26
XLogP
-15.6
TPSA
801 Ų
H-bond donors
26
H-bond acceptors
49
Rotatable bonds
22
Heavy atoms
97

SMILES [C@@H]1([C@@H]([C@H](O[C@H]([C@H]1O)O[C@H]2[C@@H]([C@@H]([C@@H](O[C@@H]2C(=O)O)O[C@H]3[C@@H]([C@@H]([C@@H](O[C@@H]3C(=O)O)O[C@H]4[C@@H]([C@@H]([C@@H](O[C@@H]4C(=O)O)O[C@H]5[C@@H]([C@@H]([C@@H](O[C@@H]5C(=O)O)O[C@H]6[C@@H]([C@@H]([C@@H](O[C@@H]6C(=O)O)O[C@H]7[C@@H]([C@@H]([C@@H](O[C@@H]7C(=O)O)O[C@H]8[C@@H]([C@@H]([C@@H](O[C@@H]8C(=O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)C(=O)O)O)O

Computed descriptors from PubChem (CID 162642256), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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