Calcium glubionateProduct ingredient for Calcium glubionate anhydrous
- Name
- Calcium glubionate
- Drug Entry
- Calcium glubionate anhydrous
Calcium glubionate (or glubionate calcium) is a mineral supplement to prevent or treat low blood calcium levels in people who do not get enough calcium from their diets.
- Accession Number
- DBSALT001951
- Structure
Structure for Calcium glubionate (DBSALT001951)
- Synonyms
- (D-gluconato)(lactobionato)calcium monohydrate / Calcii glubionas / Calcium glubionate / Calcium gluconogalactogluconate / Glucobionato calcico
- UNII
- 3CF7K0SD0Q
- CAS Number
- 12569-38-9
- Weight
- Average: 610.528
Monoisotopic: 610.1269344 - Chemical Formula
- C18H34CaO20
- InChI Key
- OKRXSXDSNLJCRS-NLOQLBMISA-L
- InChI
- InChI=1S/C12H22O12.C6H12O7.Ca.H2O/c13-1-3(15)10(7(18)8(19)11(21)22)24-12-9(20)6(17)5(16)4(2-14)23-12;7-1-2(8)3(9)4(10)5(11)6(12)13;;/h3-10,12-20H,1-2H2,(H,21,22);2-5,7-11H,1H2,(H,12,13);;1H2/q;;+2;/p-2/t3-,4-,5+,6+,7-,8-,9-,10-,12+;2-,3-,4+,5-;;/m11../s1
- IUPAC Name
- {[(2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexanoyl]oxy}calcio (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate hydrate
- SMILES
- O.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O[Ca]OC(=O)[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO
- External Links
- ChemSpider
- 23833
- ChEMBL
- CHEMBL2104594
- Wikipedia
- Calcium_glubionate
- Predicted Properties
Property Value Source Water Solubility 47.2 mg/mL ALOGPS logP -2.5 ALOGPS logP -9.6 Chemaxon logS -1.1 ALOGPS pKa (Strongest Acidic) 11.32 Chemaxon pKa (Strongest Basic) -3.6 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 17 Chemaxon Hydrogen Donor Count 13 Chemaxon Polar Surface Area 334.05 Å2 Chemaxon Rotatable Bond Count 17 Chemaxon Refractivity 107.1 m3·mol-1 Chemaxon Polarizability 50.45 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon