GlyTouCan:G85027VZ
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Basic information
- CAS
66754-13-0- Standard SMILES
O=C(O)[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@H](O)[C@H](O[C@H]3[C@H](O)[C@H](O)[C@H](O)O[C@@H]3C(=O)O)O[C@@H]2C(=O)O)[C@@H](O)[C@@H](O)[C@@H]1O- InChIKey
LCLHHZYHLXDRQG-BUOBQAFFSA-N- Molecular formula
- C18H26O19
- Average molar mass
- 546.4 g/mol
Names & identifiers
- Preferred name
- GlyTouCan:G85027VZ
- IUPAC
- (2S,3S,4S,5S,6R)-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-3,4,5-trihydroxyoxane-2-carboxylic acid
- English name
- D-trimannuronic acid trisodium salt
- Molecular formula
- C18H26O19
- Molecular weight
- 546.39
Names & synonyms
GlyTouCan:G85027VZRefChem:1031667G85027VZD-Trimannuronic acid66754-13-0b-D-Mannopyranuronic acid,O-b-D-mannopyranuronosyl-(1?4)-O-b-D-mannopyranuronosyl-(1?4)-orb1694466HY-N7699AAKOS040754731CS-0135273T35614(2S,3S,4S,5S,6R)-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-3,4,5-trihydroxyoxane-2-carboxylic acid
Show more names
Tri-Mannuronic Acid Sodium SaltD-trimannuronic acid trisodium saltMannose Impurity 43 (D-Trimannuronic Acid)β-D-Mannopyranuronic acid, O-β-D-mannopyranuronosyl-(1→4)-O-β-D-mannopyranuronosyl-(1→4)-
Database identifiers
- CAS
Properties
Computed structural propertiesFilling in
- XLogP
- -6.1
- Topological polar surface area
- 320 Ų
- Hydrogen bond donors
- 11
- Hydrogen bond acceptors
- 19
- Rotatable bonds
- 7
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 853
Physicochemical properties
- Boiling point
- 1021.7 · 1021.7±65.0 °C(Predicted)
- Density
- 2.03 · 2.03±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- pka
- 2.69 · 2.69±0.70(Predicted)
Chemistry & industry
Applications
UsesD-Trimannuronic acid, an alginate oligomer is extracted from seaweed. D-Trimannuronic acid can induce TNF‐α secretion by mouse macrophage cell lines. D-Trimannuronic acid can be used for the research of pain and vascular dementia[1][2][3].
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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