(2R,3R)-2,3-dihydroxybutanedioic acid diamine

• ChemBase ID: 134114
• Molecular Formular: C4H12N2O6
• Molecular Mass: 184.14788
• Monoisotopic Mass: 184.06953611
• SMILES: [C@@H]([C@H](C(=O)O)O)(C(=O)O)O.N.N
• Canonical SMILES: O[C@H]([C@H](C(=O)O)O)C(=O)O.N.N
• InChI: InChI=1S/C4H6O6.2H3N/c5-1(3(7)8)2(6)4(9)10;;/h1-2,5-6H,(H,7,8)(H,9,10);2*1H3/t1-,2-;;/m1../s1
• InChIKey: NGPGDYLVALNKEG-OLXYHTOASA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R,3R)-2,3-dihydroxybutanedioic acid diamine
• IUPAC Traditional name: L(+)-tartaric acid diamine
• Synonyms: L-(+)-Tartaric acid diammonium salt solution; Diammonium tartrate solution; Ammonium tartrate dibasic solution; Ammonium tartrate dibasic; L-Tartaric acid ammonium salt; Ammonium tartrate dibasic; Diammonium tartrate; L(+)-Tartaric acid diammonium salt; Ammonium L-tartrate; L-(+)-Tartaric acid diammonium salt; (+)酒石酸铵; L-(+)-酒石酸 二铵盐; 酒石酸铵 二元; L-酒石酸 铵盐; L(+)-酒石酸 二铵盐; 酒石酸二铵; 酒石酸铵 二元; L-酒石酸铵

Database IDs

• CAS Number: 3164-29-2
• EC Number: 221-618-9
• MDL Number: MFCD00013073
• Beilstein Number: 6120352
• PubChem SID: 24890712; 24846510; 162228391; 24846509
• PubChem CID: 18486

CALCULATED PROPERTIES

• Acid pKa: 2.719041
• H Acceptors: 6
• H Donor: 4
• LogD (pH = 5.5): -5.323427
• LogD (pH = 7.4): -7.890869
• Log P: -1.8287998
• Molar Refractivity: 26.2134 cm^3
• Polarizability: 10.871467 Å^3
• Polar Surface Area: 115.06 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: H2O: soluble1 M at 20 °C, clear, colorless
• Density: 1.11 g/mL at 20 °C; 1.601 g/mL at 25 °C(lit.)
• Optical Rotation: [α]15/D +32.4°, c = 1.84 in H2O
• Absorption Wavelength: λ: 260 nm Amax: 0.052; λ: 260 nm Amax: 0.10; λ: 280 nm Amax: 0.039; λ: 280 nm Amax: 0.08
• pH: 5.0-7.0 (25 °C, 50 mg/mL in H2O); 6.0-7.5 (25 °C, 1 M in H2O); 6.5-7.5 (25 °C, 2 M in H2O)

Safety Information

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

Product Information

• Purity: ≥99.0% (T); ≥99.5% (T); 99%
• Concentration: 2 M in H2O (colorless solution at 20 °C)
• Grade: purum p.a.
• Ignition Residue: ≤0.05% (as SO4); ≤0.1%
• Impurities: ≤0.0005% Phosphorus (P); ≤0.1% Insoluble matter; insoluble matter, passes filter test
• Cation Traces: Al: ≤0.0005%; Al: ≤1 mg/kg; Al: ≤5 mg/kg; As: ≤0.1 mg/kg; Ba: ≤1 mg/kg; Ba: ≤5 mg/kg; Bi: ≤1 mg/kg; Bi: ≤5 mg/kg; Ca: ≤0.0010%; Ca: ≤5 mg/kg; Ca: ≤50 mg/kg; Cd: ≤1 mg/kg; Cd: ≤5 mg/kg; Cd: ≤50 mg/kg; Co: ≤1 mg/kg; Co: ≤5 mg/kg; Co: ≤50 mg/kg; Cr: ≤1 mg/kg; Cr: ≤5 mg/kg; Cu: ≤0.0005%; Cu: ≤1 mg/kg; Cu: ≤5 mg/kg; Cu: ≤50 mg/kg; Fe: ≤0.0005%; Fe: ≤1 mg/kg; Fe: ≤5 mg/kg; Fe: ≤50 mg/kg; K: ≤0.005%; K: ≤100 mg/kg; K: ≤20 mg/kg; K: ≤50 mg/kg; Li: ≤1 mg/kg; Li: ≤5 mg/kg; Mg: ≤0.0005%; Mg: ≤1 mg/kg; Mg: ≤5 mg/kg; Mn: ≤1 mg/kg; Mn: ≤5 mg/kg; Mo: ≤1 mg/kg; Mo: ≤5 mg/kg; Na: ≤0.005%; Na: ≤100 mg/kg; Na: ≤20 mg/kg; Na: ≤50 mg/kg; Ni: ≤1 mg/kg; Ni: ≤5 mg/kg; Ni: ≤50 mg/kg; Pb: ≤0.001%; Pb: ≤1 mg/kg; Pb: ≤5 mg/kg; Pb: ≤50 mg/kg; Sr: ≤1 mg/kg; Sr: ≤5 mg/kg; Zn: ≤0.0005%; Zn: ≤1 mg/kg; Zn: ≤5 mg/kg; Zn: ≤50 mg/kg
• Antion Traces: chloride (Cl-): ≤0.05%; chloride (Cl-): ≤50 mg/kg; sulfate (SO42-): ≤0.1%; sulfate (SO42-): ≤50 mg/kg
• Quality: crystallized
• λ: 1 M in H2O; 2 M in H2O
• Product Line: BioUltra
• Linear Formula: (NH4)2C4H4O6
• Empirical Formula (Hill Notation): C4H12N2O6

DETAILS

Sigma Aldrich - 09985

Application
Ammonium tartrate dibasic can be used to study biochemicals and reagents, biological buffers, chelators, protein structural analysis, proteomics and X-ray crystallography. Ammonium tartrate dibasic has been used in a study to research the crystal optimization and preliminary diffraction data analysis of the Smad1 MH1 domain bound to a palindromic SBE DNA element.