tetrasodium 3,12-bis(carboxylatomethyl)-6,9-dioxa-3,12-diazatetradecanedioate

• ChemBase ID: 132473
• Molecular Formular: C14H20N2Na4O10
• Molecular Mass: 468.27508
• Monoisotopic Mass: 468.07087197
• SMILES: C(COCCOCCN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+].[Na+]
• Canonical SMILES: [O-]C(=O)CN(CC(=O)[O-])CCOCCOCCN(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+].[Na+]
• InChI: InChI=1S/C14H24N2O10.4Na/c17-11(18)7-15(8-12(19)20)1-3-25-5-6-26-4-2-16(9-13(21)22)10-14(23)24;;;;/h1-10H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24);;;;/q;4*+1/p-4
• InChIKey: BAOGCDPNNOBWQZ-UHFFFAOYSA-J

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrasodium 3,12-bis(carboxylatomethyl)-6,9-dioxa-3,12-diazatetradecanedioate
• IUPAC Traditional name: tetrasodium egta
• Synonyms: Ethylene glycol-bis(β-aminoethyl ether)-N,N,N′,N′-tetraacetic acid tetrasodium salt; EGTA 四钠; 乙二醇双氨乙基醚四乙酸 四钠; 依他酸 四钠

Database IDs

• CAS Number: 13368-13-3
• MDL Number: MFCD00274420
• PubChem SID: 162226750; 24894667
• PubChem CID: 16219327

CALCULATED PROPERTIES

• Acid pKa: 2.1556778
• H Acceptors: 12
• H Donor: 0
• LogD (pH = 5.5): -11.342245
• LogD (pH = 7.4): -14.649551
• Log P: -7.2473655
• Molar Refractivity: 127.781 cm^3
• Polarizability: 32.982723 Å^3
• Polar Surface Area: 185.46 Å^2
• Rotatable Bonds: 17
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

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

Product Information

• Purity: ≥97%

DETAILS

Sigma Aldrich - E8145

Application
A chelating agent useful for the determination of calcium in the presence of magnesium. Repeated washing with EGTA-buffer can experimentally deplete cultured cells of Ca2+.1