zinc(2+) ion disodium 2-({2-[bis(carboxylatomethyl)amino]ethyl}(carboxylatomethyl)amino)acetate

• ChemBase ID: 106987
• Molecular Formular: C10H12N2Na2O8Zn
• Molecular Mass: 399.57042
• Monoisotopic Mass: 397.96804592
• SMILES: [Na+].[Na+].[Zn+2].[O-]C(=O)CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-]
• Canonical SMILES: [O-]C(=O)CN(CC(=O)[O-])CCN(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Zn+2]
• InChI: InChI=1S/C10H16N2O8.2Na.Zn/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);;;/q;2*+1;+2/p-4
• InChIKey: UBLOJEHIINPTTG-UHFFFAOYSA-J

NAMES AND DATABASE IDS

Names

• IUPAC name: zinc(2+) ion disodium 2-({2-[bis(carboxylatomethyl)amino]ethyl}(carboxylatomethyl)amino)acetate
• IUPAC Traditional name: zinc, ion (zn2+) dipotassium ion(4-) edta; zinc(2+) ion disodium ion(4-) edta
• Synonyms: EDTA, DISODIUM ZINC SALT; Ethylenedinitrilotetraacetic acid; Ethylenediaminetetraacetic acid zinc disodium salt hydrate; 乙二胺四乙酸锌二钠盐水合物

Database IDs

• CAS Number: 39208-16-7
• MDL Number: MFCD00135187
• PubChem SID: 162094553
• PubChem CID: 51808

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

• Apperance: Powder

Safety Information

• TSCA Listed: 是

DETAILS

MP Biomedicals - 05202150

MP Biomedicals Rare Chemical collection