dipotassium 3,6,10,13-tetraoxo-2,7,9,14,15,16,17,18-octaoxa-1,8-distibapentacyclo[10.2.1.11,4.15,8.18,11]octadecane-1,8-diuide hydrate

• ChemBase ID: 130798
• Molecular Formular: C8H6K2O13Sb2
• Molecular Mass: 631.84204
• Monoisotopic Mass: 629.71588361
• SMILES: C12C3C(=O)O[Sb-]4(O3)OC(C3C(=O)O[Sb-](O1)(O3)OC2=O)C(=O)O4.O.[K+].[K+]
• Canonical SMILES: O=C1O[Sb-]23OC1C1O[Sb-]4(OC1=O)OC(=O)C(C(O3)C(=O)O2)O4.O.[K+].[K+]
• InChI: InChI=1S/2C4H4O6.2K.H2O.2Sb/c2*5-1(3(7)8)2(6)4(9)10;;;;;/h2*1-2H,(H,7,8)(H,9,10);;;1H2;;/q2*-2;2*+1;;2*+3/p-4
• InChIKey: BBUFTTIHMIIQLI-UHFFFAOYSA-J

NAMES AND DATABASE IDS

Names

• IUPAC 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,^1^1]octadecane-1,8-diuide hydrate
• 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,^1^1]octadecane-1,8-diuide hydrate
• Synonyms: Potassium antimony(III) tartrate hydrate; Antimony potassium tartrate; 吐酒石; 酒石酸氧锑钾 水合物

Database IDs

• CAS Number: 331753-56-1
• MDL Number: MFCD00149437
• PubChem SID: 24898807; 162225076; 24854705; 24853773
• PubChem CID: 53315432

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

Physical Property

• Apperance: powder
• Density: 2.6 g/mL at 25 °C(lit.)
• Optical Rotation: [α]20/D +141°, c = 2 in H2O

Safety Information

• RTECS: CC6825000
• European Hazard Symbols: Nature polluting (N); Harmful (Xn)
• UN Number: 1551
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 20/22-51/53
• Safety Statements: 61
• GHS Pictograms: GHS07; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H332-H411
• GHS Precautionary statements: P273
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
• RID/ADR: UN 1551 6.1/PG 3

Product Information

• Purity: ≥99%; 99% (titration); 99.95% trace metals basis
• Empirical Formula (Hill Notation): C8H4K2O12Sb2 · xH2O

DETAILS

Sigma Aldrich - 244791

Packaging
100, 500 g in poly bottle
5 g in glass bottle

Sigma Aldrich - 230057

Packaging
10, 100 g in poly bottle