diantimony(3+) ion dibarium(2+) ion pentakis(2,3-dihydroxybutanedioate)

• ChemBase ID: 108367
• Molecular Formular: C20H20Ba2O30Sb2
• Molecular Mass: 1258.5288
• Monoisotopic Mass: 1257.62206324
• SMILES: [Sb+3].[Sb+3].[Ba+2].[Ba+2].OC(C(O)C(=O)[O-])C(=O)[O-].OC(C(O)C(=O)[O-])C(=O)[O-].OC(C(O)C(=O)[O-])C(=O)[O-].OC(C(O)C(=O)[O-])C(=O)[O-].OC(C(O)C(=O)[O-])C(=O)[O-]
• Canonical SMILES: OC(C(C(=O)[O-])O)C(=O)[O-].OC(C(C(=O)[O-])O)C(=O)[O-].OC(C(C(=O)[O-])O)C(=O)[O-].OC(C(C(=O)[O-])O)C(=O)[O-].OC(C(C(=O)[O-])O)C(=O)[O-].[Sb+3].[Sb+3].[Ba+2].[Ba+2]
• InChI: InChI=1S/5C4H6O6.2Ba.2Sb/c5*5-1(3(7)8)2(6)4(9)10;;;;/h5*1-2,5-6H,(H,7,8)(H,9,10);;;;/q;;;;;2*+2;2*+3/p-10
• InChIKey: BYONAXBLARPURO-UHFFFAOYSA-D

NAMES AND DATABASE IDS

Names

• IUPAC name: diantimony(3+) ion dibarium(2+) ion pentakis(2,3-dihydroxybutanedioate)
• IUPAC Traditional name: diantimony(3+) dibarium(2+) pentatartrate
• Synonyms: BARIUM ANTIMONY TARTRATE

Database IDs

• PubChem SID: 162106149
• PubChem CID: 44135391

CALCULATED PROPERTIES

• Acid pKa: 2.719041
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): -5.323427
• LogD (pH = 7.4): -7.890869
• Log P: -1.8287998
• Molar Refractivity: 47.8876 cm^3
• Polarizability: 10.630576 Å^3
• Polar Surface Area: 120.72 Å^2
• Rotatable Bonds: 15
• Lipinski's Rule of Five: false

DETAILS

MP Biomedicals - 05207119

MP Biomedicals Rare Chemical collection