tetrasodium 2-({2-[bis(carboxylatomethyl)amino]ethyl}(carboxylatomethyl)amino)acetate hydrate

• ChemBase ID: 132358
• Molecular Formular: C10H14N2Na4O9
• Molecular Mass: 398.18524
• Monoisotopic Mass: 398.02900716
• SMILES: C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].O.[Na+].[Na+].[Na+].[Na+]
• Canonical SMILES: [O-]C(=O)CN(CC(=O)[O-])CCN(CC(=O)[O-])CC(=O)[O-].O.[Na+].[Na+].[Na+].[Na+]
• InChI: InChI=1S/C10H16N2O8.4Na.H2O/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;;;;1H2/q;4*+1;/p-4
• InChIKey: GXFFSKMBMYHTAE-UHFFFAOYSA-J

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrasodium 2-({2-[bis(carboxylatomethyl)amino]ethyl}(carboxylatomethyl)amino)acetate hydrate
• IUPAC Traditional name: tetrasodium ion(4-) edta hydrate
• Synonyms: Ethylenediaminetetraacetic acid tetrasodium salt hydrate; Edathamil; Ethylenediaminetetraacetic acid tetrasodium salt dihydrate; Tetrasodium ethylenediaminetetraacetate hydrate; EDTA tetrasodium salt; Tetrasodium ethylenediaminetetraacetate dihydrate; EDTA 四钠盐; 乙二胺四乙酸四钠盐 水合物; 依地酸; 乙二胺四乙酸 四钠盐 水合物; 乙二胺四乙酸四钠盐 二水合物

Database IDs

• CAS Number: 194491-31-1; 10378-23-1
• EC Number: 200-573-9
• MDL Number: MFCD00150026; MFCD00150025
• Beilstein Number: 3861753
• PubChem SID: 24894710; 24845563; 24845562; 24856477; 24894711; 24894629; 24894478; 24894613; 162226635
• PubChem CID: 16211056

CALCULATED PROPERTIES

• Acid pKa: 1.486185
• H Acceptors: 10
• H Donor: 0
• LogD (pH = 5.5): -10.586659
• LogD (pH = 7.4): -14.721412
• Log P: -5.221795
• Molar Refractivity: 105.694 cm^3
• Polarizability: 24.221308 Å^3
• Polar Surface Area: 167.0 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: H2O: soluble, clear, colorless; H2O: soluble0.1 g/mL, clear; H2O: soluble0.1 g/mL, clear, colorless; H2O: soluble0.1 M, clear, colorless; H2O: soluble160 mg/mL
• Melting Point: >300 °C(lit.)
• Absorption Wavelength: A0.1M/260, H2O ≤1.5; A0.1M/280, H2O ≤0.06
• pH: 11.0-12.0 (0.1 M in H2O)

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 2
• Risk Statements: 22-41
• Safety Statements: 26-39-46
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H318
• GHS Precautionary statements: P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥85% C10H12N2Na4O8 basis; ≥95%; ≥97.0% (KT); ≥98.0% (calc. based on dry substance, KT); ≥98.0% (KT); ≥98.5%; ≥99.0%; 98%; 99.0-102.0%; 99.0-102.0% (titration)
• Grade: practical grade; purum; SAJ special grade
• Suitability: suitable for cell culture
• Impurities: ~7.5% water; ≤0.005% heavy metals (as Pb); ≤15% water (Karl Fischer); 5-10% water; Insoluble matter, passes filter test
• Cation Traces: Al: ≤0.001%; As: ≤0.0001%; Ba: ≤0.0005%; Bi: ≤0.0005%; Ca: <0.001%; Cd: ≤0.0005%; Co: ≤0.0005%; Cr: ≤0.0005%; Cu: ≤0.0005%; Fe: ≤0.0005%; Fe: ≤50 mg/kg; Li: ≤0.0005%; Mg: ≤0.0005%; Mn: ≤0.0005%; Mo: ≤0.0005%; Ni: ≤0.0005%; Pb: ≤0.0005%; Sr: ≤0.0005%; Zn: ≤0.0005%
• Antion Traces: chloride (Cl-): ≤0.05%; sulfate (SO42-): ≤0.01%; sulfate (SO42-): ≤0.2%
• Quality Level: PREMIUM
• Linear Formula: (NaO2CCH2)2NCH2CH2N(CH2CO2Na)2·xH2O; (NaOOCCH2)2NCH2CH2N(CH2COONa)2 · 2H2O; (NaOOCCH2)2NCH2CH2N(CH2COONa)2 · xH2O

DETAILS

Sigma Aldrich - ED4SS

Application
Used to eliminate enzyme inhibition by traces of heavy metals, and to inhibit enzymes that require divalent cations as cofactors.

Sigma Aldrich - E6511

Application
Used to eliminate enzyme inhibition by traces of heavy metals, and to inhibit enzymes that require divalent cations as cofactors.

Sigma Aldrich - ED4S

Preparation Note
室温下溶于水的最大浓度可达 1.45M。该溶液的 pH 值约为 10 至 11，而且粘度较大。
Application
EDTA 为金属蛋白酶抑制剂，有效浓度为 1-10 mM。EDTA 可用作金属蛋白酶活性中心锌离子的螯合剂，并且还可抑制其他依赖金属离子的蛋白酶，例如依赖钙的半胱氨酸蛋白酶。作为抗凝血剂时，通常使用 EDTA 的二钠或三钾盐。最佳浓度为每 mL 血液 1.5mg。

Sigma Aldrich - E5391

Preparation Note
室温下溶于水的最大浓度可达 1.45M。该溶液的 pH 值约为 10 至 11，而且粘度较大。
Application
EDTA 为金属蛋白酶抑制剂，有效浓度为 1-10 mM。EDTA 可用作金属蛋白酶活性中心锌离子的螯合剂，并且还可抑制其他依赖金属离子的蛋白酶，例如依赖钙的半胱氨酸蛋白酶。作为抗凝血剂时，通常使用 EDTA 的二钠或三钾盐。最佳浓度为每 mL 血液 1.5mg。

Sigma Aldrich - E26290

Packaging
10 kg in fiber drum
25, 500 g in poly bottle
3 kg in poly drum

Sigma Aldrich - 03701

Preparation Note
Soluble in water at room temperature up to 1.45 M. The pH of this solution will be approximately 10 to 11 and will be rather viscous.
Application
EDTA is an inhibitor of metalloproteases, at effective concentrations of 1-10 mM. EDTA acts as a chelator of the zinc ion in the active site of metalloproteases, and can also inhibit other metal ion-dependent proteases such as calcium-dependent cysteine proteases. For use as an anticoagulant, disodium or tripotassium salts of EDTA are most commonly used. The optimal concentration is 1.5 mg per ml of blood.

Sigma Aldrich - 09-1510

Preparation Note
Soluble in water at room temperature up to 1.45 M. The pH of this solution will be approximately 10 to 11 and will be rather viscous.
Application
EDTA is an inhibitor of metalloproteases, at effective concentrations of 1-10 mM. EDTA acts as a chelator of the zinc ion in the active site of metalloproteases, and can also inhibit other metal ion-dependent proteases such as calcium-dependent cysteine proteases. For use as an anticoagulant, disodium or tripotassium salts of EDTA are most commonly used. The optimal concentration is 1.5 mg per ml of blood.

Sigma Aldrich - 03695

Application
Used to eliminate enzyme inhibition by traces of heavy metals, and to inhibit enzymes that require divalent cations as cofactors.