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Chemical structure of D-Pentamannuronic acid

GC60792

D-Pentamannuronic 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-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-3,4,5-trihydroxyoxane-2-carboxylic acid

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

ChemicalCAS183668-50-0MW898.64FormulaC30H42O31
CAS number
183668-50-0
Molecular weight
898.64
Formula
C30H42O31
InChIKey
XTVQVZDWFHITEQ-YLWRECDYSA-N
Catalogue number
GC60792
Brand
GLPBIO
Computed properties PubChem CID 156616984 · XLogP -9.9 · TPSA 512 Ų · H-bond donors 17
XLogP
-9.9
TPSA
512 Ų
H-bond donors
17
H-bond acceptors
31
Rotatable bonds
13
Heavy atoms
61

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)O)O)O)O)O)O)O)O)C(=O)O)O)O

Computed descriptors from PubChem (CID 156616984), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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