Structure via PubChem · Public domain (PubChem)
Chemical data
- Formula
- C18H24CaO19
- Molecular weight
- 584.4 g/mol
- IUPAC name
- calcium (2S,3S,4S,5S,6R)-6-[(2R,3S,4R,5S,6R)-2-carboxy-6-[(2R,3S,4R,5S,6R)-2-carboxylato-4,5,6-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate
- 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)O)O)O)O)C(=O)[O-])O)O.[Ca+2]
- InChIKey
- OKHHGHGGPDJQHR-YMOPUZKJSA-L
- Polar surface area
- 326 Ų
- H-bond donors
- 9
- H-bond acceptors
- 19
- Formal charge
- 0
via PubChem
Wikidata facts
- Subclass of
- alginate
- Mass
- 584.0537695279997
Show 3 more facts
- isomeric 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.[Ca+2]
- chemical formula
- C₁₈H₂₄CaO₁₉
- canonical SMILES
- O=C([O-])C1OC(OC2C(C(=O)O)OC(OC3C(C(=O)[O-])OC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O.[Ca+2]
Sources (3)
via Wikidata · CC0