Calcium glubionate

Base Information

• Chemical Name: Calcium glubionate
• CAS No.: 12569-38-9
• Deprecated CAS: 1334-10-7
• Molecular Formula: C18H32CaO19 . H2O
• Molecular Weight: 610.5286
• DSSTox Substance ID: DTXSID10905138
• Mol file: 12569-38-9.mol

Synonyms:calcium;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate;(2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoate;hydrate;Neocalglucon;Calcii glubionas;Glucobionato calcico;Glubionato di calcio;Glubionate de calcium;UNII-3CF7K0SD0Q;Glubionato di calcio [DCIT];Calcii glubionas [INN-Latin];DTXSID10905138;Glucobionato calcico [INN-Spanish];Glubionate de calcium [INN-French];Calcium glubionate [USAN:USP:INN];Calcium D-gluconate lactobionate hydrate;AC-32129;calcium (2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)hexanoate (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate hydrate;Calcium, (4-O-beta-D-galactopyranosyl-D-gluconato-O(sup 1))(D-gluconato-O(sup 1))-, monohydrate

Chemical Property of Calcium glubionate

Chemical Property:

• Appearance/Colour: white or almost white crystalline powder
• Vapor Pressure: 7.15E-35mmHg at 25°C
• Boiling Point: 864.7 °C at 760 mmHg
• Flash Point: 319.1 °C
• PSA: 343.28000
• LogP: -9.38050
• Hydrogen Bond Donor Count: 14
• Hydrogen Bond Acceptor Count: 20
• Rotatable Bond Count: 15
• Exact Mass: 610.1269343
• Heavy Atom Count: 39
• Complexity: 686

Purity/Quality:

99% ^*data from raw suppliers

Calcium glubionate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C1C(C(C(C(O1)OC(C(CO)O)C(C(C(=O)[O-])O)O)O)O)O)O.C(C(C(C(C(C(=O)[O-])O)O)O)O)O.O.[Ca+2]
• Isomeric SMILES: C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C(=O)[O-])O)O)O)O)O)O.C([C@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O)O.O.[Ca+2]
• Uses: mineral supplement for hypocalcemia Glubionate Calcium, is a mineral supplement, that can be used to prevent or treat low blood calcium levels.