tetrapotassium bis(2,3-dihydroxybutanedioate) hydrate

• ChemBase ID: 295330
• Molecular Formular: C8H10K4O13
• Molecular Mass: 470.5504
• Monoisotopic Mass: 469.8669671
• SMILES: C(C(C(=O)[O-])O)(C(=O)[O-])O.C(C(C(=O)[O-])O)(C(=O)[O-])O.O.[K+].[K+].[K+].[K+]
• Canonical SMILES: OC(C(C(=O)[O-])O)C(=O)[O-].OC(C(C(=O)[O-])O)C(=O)[O-].O.[K+].[K+].[K+].[K+]
• InChI: InChI=1S/2C4H6O6.4K.H2O/c2*5-1(3(7)8)2(6)4(9)10;;;;;/h2*1-2,5-6H,(H,7,8)(H,9,10);;;;;1H2/q;;4*+1;/p-4
• InChIKey: FRFCDHONTUJIBX-UHFFFAOYSA-J

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrapotassium bis(2,3-dihydroxybutanedioate) hydrate
• IUPAC Traditional name: tetrapotassium hydrate ditartrate
• Synonyms: L-Tartaric acid dipotassium salt; Potassium L-tartrate hemihydrate; L-酒石酸钾半水合物

Database IDs

• CAS Number: 6100-19-2
• EC Number: 213-067-8
• MDL Number: MFCD00150136
• Beilstein Number: 6119985
• Merck Index: 147677
• PubChem SID: 180680861
• PubChem CID: 2735211

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: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 155°C -H{2}O
• Boiling Point: 200-220°C
• Density: 1.98

Safety Information

• TSCA Listed: 是

Product Information

• Purity: 99%