potassium (2S,3S)-3-carboxy-2,3-dihydroxypropanoate

• ChemBase ID: 130546
• Molecular Formular: C4H5KO6
• Molecular Mass: 188.1772
• Monoisotopic Mass: 187.97231956
• SMILES: [C@H]([C@@H](C(=O)[O-])O)(C(=O)O)O.[K+]
• Canonical SMILES: [O-]C(=O)[C@H]([C@@H](C(=O)O)O)O.[K+]
• InChI: InChI=1S/C4H6O6.K/c5-1(3(7)8)2(6)4(9)10;/h1-2,5-6H,(H,7,8)(H,9,10);/q;+1/p-1/t1-,2-;/m0./s1
• InChIKey: KYKNRZGSIGMXFH-YGEZSCCGSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium (2S,3S)-3-carboxy-2,3-dihydroxypropanoate
• IUPAC Traditional name: potassium D-tartrate(1-)
• Synonyms: Potassium D-tartrate monobasic; D-(-)-Tartaric acid monopotassium salt; D-2,3-Dihydroxybutanedioic acid monopotassium salt; Potassium hydrogen D-tartrate; D-(-)-酒石酸 单钾盐; D-2,3-二羟基丁二酸 单钾盐; D-酒石酸氢钾; D-酒石酸二氢钾

Database IDs

• CAS Number: 57341-16-9
• MDL Number: MFCD00079580
• Beilstein Number: 6119984
• PubChem SID: 24881855; 162224824; 24900010
• PubChem CID: 23687508

CALCULATED PROPERTIES

• Log P: -1.8287998
• Molar Refractivity: 37.0505 cm^3
• Polarizability: 10.751013 Å^3
• Polar Surface Area: 117.89 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• Acid pKa: 2.719041
• H Acceptors: 6
• H Donor: 3
• LogD (pH = 5.5): -5.323427
• LogD (pH = 7.4): -7.890869

PROPERTIES

Physical Property

• Solubility: H2O: soluble0.01 M at 20 °C, clear, colorless
• Optical Rotation: [α]20/D -31.5±0.5°, c = 10% in 1 M NaOH
• Absorption Wavelength: λ: 260 nm Amax: 0.015; λ: 280 nm Amax: 0.013
• pH: 3.0-4.5 (25 °C, 0.01 M in H2O)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥99.0% (T)
• Impurities: insoluble matter, passes filter test
• Cation Traces: Al: ≤10 mg/kg; As: ≤0.1 mg/kg; Ba: ≤5 mg/kg; Bi: ≤10 mg/kg; Ca: ≤50 mg/kg; Cd: ≤5 mg/kg; Co: ≤5 mg/kg; Cr: ≤5 mg/kg; Cu: ≤5 mg/kg; Fe: ≤10 mg/kg; Li: ≤5 mg/kg; Mg: ≤5 mg/kg; Mn: ≤5 mg/kg; Mo: ≤5 mg/kg; Na: ≤50 mg/kg; Ni: ≤5 mg/kg; Pb: ≤5 mg/kg; Sr: ≤5 mg/kg; Zn: ≤5 mg/kg
• Antion Traces: chloride (Cl-): ≤50 mg/kg; sulfate (SO42-): ≤50 mg/kg
• λ: 0.01 M in H2O
• Product Line: BioUltra
• Empirical Formula (Hill Notation): C4H5KO6

DETAILS

Sigma Aldrich - T2032

Application
一级标准缓冲液。
Other Notes
非天然异构体

Sigma Aldrich - 60366

Other Notes
Unnatural isomer
Primary standard buffer1