Calcium glubionateProduct ingredient forCalcium glubionate anhydrous

Show full entry 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.

See full entry for Calcium glubionate anhydrous
Accession Number
DBSALT001951
Structure
MOL SDF PDB SMILES InChI
Similar Structures
Synonyms
(D-gluconato)(lactobionato)calcium monohydrate/Calcii glubionas/Calcium glubionate/Calcium gluconogalactogluconate/Glucobionato calcico
UNII
3 cf7k0sd0q
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
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