disodium 3,6,10,13-tetraoxo-2,7,9,14,15,16,17,18-octaoxa-1,8-distibapentacyclo[10.2.1.1^{1,4}.1^{5,8}.1^{8,11}]octadecane-1,8-diuide

• ChemBase ID: 110184
• Molecular Formular: C8H4Na2O12Sb2
• Molecular Mass: 581.6097
• Monoisotopic Mass: 579.75744413
• SMILES: [Na+].[Na+].O=C1O[Sb-]23OC1C1O[Sb-]4(OC(C(O2)C(=O)O3)C(=O)O4)OC1=O
• Canonical SMILES: O=C1O[Sb-]23OC1C1O[Sb-]4(OC1=O)OC(=O)C(C(O3)C(=O)O2)O4.[Na+].[Na+]
• InChI: InChI=1S/2C4H4O6.2Na.2Sb/c2*5-1(3(7)8)2(6)4(9)10;;;;/h2*1-2H,(H,7,8)(H,9,10);;;;/q2*-2;2*+1;2*+3/p-4
• InChIKey: UZVPADYOEPQJSP-UHFFFAOYSA-J

NAMES AND DATABASE IDS

Names

• IUPAC name: disodium 3,6,10,13-tetraoxo-2,7,9,14,15,16,17,18-octaoxa-1,8-distibapentacyclo[10.2.1.1^{1,4}.1^{5,8}.1^{8,11}]octadecane-1,8-diuide
• IUPAC Traditional name: dipotassium 3,6,10,13-tetraoxo-2,7,9,14,15,16,17,18-octaoxa-1,8-distibapentacyclo[10.2.1.1^{1,4}.1^{5,8}.1^{8,11}]octadecane-1,8-diuide
• Synonyms: ANTIMONY SODIUM TARTRATE

Database IDs

• CAS Number: 34521-09-0
• EC Number: 252-070-9
• PubChem SID: 162095580
• PubChem CID: 443987

CALCULATED PROPERTIES

• Acid pKa: 11.71152
• H Acceptors: 8
• H Donor: 0
• LogD (pH = 5.5): 1.9143997
• LogD (pH = 7.4): 1.9143788
• Log P: -0.1856
• Molar Refractivity: 43.8588 cm^3
• Polarizability: 30.951506 Å^3
• Polar Surface Area: 142.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• RTECS: CC8050000
• European Hazard Symbols: Nature polluting (N); Harmful (Xn)
• Risk Statements: R:20/22-51/53
• Safety Statements: S:61