Tìm theo
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
6
H Bond Acceptor Count
7
H Bond Donor Count
3
Physiological Charge
-3
Number of Rings
0
Bioavailability
1
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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