diantimony(3+) ion dipotassium bis(2,3-dioxidobutanedioate)

• ChemBase ID: 295179
• Molecular Formular: C8H4K2O12Sb2
• Molecular Mass: 613.82676
• Monoisotopic Mass: 611.70531893
• SMILES: C(C(C(=O)[O-])[O-])(C(=O)[O-])[O-].C(C(C(=O)[O-])[O-])(C(=O)[O-])[O-].[K+].[K+].[Sb+3].[Sb+3]
• Canonical SMILES: [O-]C(C(C(=O)[O-])[O-])C(=O)[O-].[O-]C(C(C(=O)[O-])[O-])C(=O)[O-].[K+].[K+].[Sb+3].[Sb+3]
• InChI: InChI=1S/2C4H4O6.2K.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: GUJUCWZGYWASLH-UHFFFAOYSA-J

NAMES AND DATABASE IDS

Names

• IUPAC name: diantimony(3+) ion dipotassium bis(2,3-dioxidobutanedioate)
• IUPAC Traditional name: diantimony(3+) ion dipotassium bis(2,3-dioxidobutanedioate)
• Synonyms: Potassium antimonyl tartrate hydrate; Tartar emetic; Antimony potassium tartrate hydrate; Potassium antimonyl tartrate; Antimony potassium tartrate trihydrate, ACS; 酒石酸锑钾水合物; 酒石酸锑钾三水合物, ACS

Database IDs

• CAS Number: 331753-56-1; 28300-74-5
• EC Number: 229-436-1; 234-293-3
• MDL Number: MFCD00148863
• Merck Index: 14700
• PubChem SID: 180680710
• PubChem CID: 3048869

CALCULATED PROPERTIES

• Acid pKa: 2.719041
• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -5.323427
• LogD (pH = 7.4): -7.890869
• Log P: -1.8287998
• Molar Refractivity: 68.9882 cm^3
• Polarizability: 10.092156 Å^3
• Polar Surface Area: 126.38 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: Powder
• Density: 2.6; 2.607

Safety Information

• RTECS: CC6825000; CC7350000
• European Hazard Symbols: Nature polluting (N); X
• UN Number: UN1551
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 20/22-51/53
• Safety Statements: 2-61; 61
• TSCA Listed: 否; 是
• GHS Pictograms: GHS07; GHS09
• GHS Hazard statements: H302-H332-H411
• GHS Precautionary statements: P261-P273-P304+P340-P301+P312-P312-P501A

Product Information

• Purity: 98%; 99.0-103.0%