Nitrilotriacetic Acid

Thuốc Gốc

Small Molecule

CTHH: C₆H₉NO₆

PTK: 191.1388

A derivative of acetic acid, N(CH2COOH)3. It is a complexing (sequestering) agent that forms stable complexes with Zn2+. (From Miall's Dictionary of Chemistry, 5th ed.)

Nhận Dạng Quốc Tế & Đặc Tính Hóa Học

Công thức hóa học

C₆H₉NO₆

Phân tử khối

191.1388

Monoisotopic mass

191.042987025

InChI

InChI=1S/C6H9NO6/c8-4(9)1-7(2-5(10)11)3-6(12)13/h1-3H2,(H,8,9)(H,10,11)(H,12,13)

InChI Key

InChIKey=MGFYIUFZLHCRTH-UHFFFAOYSA-N

IUPAC Name

2-[bis(carboxymethyl)amino]acetic acid

Traditional IUPAC Name

nitrilotriacetic acid

SMILES

OC(=O)CN(CC(O)=O)CC(O)=O

Độ hòa tan

3.17e+01 g/l

logP

-2.1

logS

-0.78

pKa (strongest acidic)

1.78

pKa (Strongest Basic)

5.58

PSA

115.14 Å²

Refractivity

38.24 m³·mol^-1

Polarizability

16.12 Å³

Rotatable Bond Count

H Bond Acceptor Count

H Bond Donor Count

Physiological Charge

-3

Number of Rings

Bioavailability

Rule of Five

true

Tài Liệu Tham Khảo Thêm

drugbank

http://www.drugbank.ca/drugs/DB03040

PubChem Compound

http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=8758

PubChem Substance

http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46504710

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