CAS 139-89-9|CAS 207386-87-6|N-(2-羟乙基)乙二胺-N,N′,N′-三乙酸三钠盐水合物|trisodium 2-({2-[bis(carboxylatomethyl)amino]ethyl}(2-hydroxyethyl)amino)acetate|羟乙基乙二胺三乙酸三钠盐水合物|HEDTA-...

General Information

Structure

Molecular Formula

C₁₀H₁₅N₂Na₃O₇

Molecular Mass

344.20461

Exact Mass

344.05723367

Charge

InChI

InChI=1S/C10H18N2O7.3Na/c13-4-3-11(5-8(14)15)1-2-12(6-9(16)17)7-10(18)19;;;/h13H,1-7H2,(H,14,15)(H,16,17)(H,18,19);;;/q;3*+1/p-3

InChIKey

WHNXAQZPEBNFBC-UHFFFAOYSA-K

Canonic Smiles

OCCN(CC(=O)[O-])CCN(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+]

Isomeric Smiles

C(CN(CC(=O)[O-])CC(=O)[O-])N(CCO)CC(=O)[O-].[Na+].[Na+].[Na+]

Calculated Properties

JChem

Acid pKa

0.87727237

H Acceptors

H Donor

LogD (pH = 5.5)

-7.806957

LogD (pH = 7.4)

-11.070943

Log P

-5.0713086

Molar Refractivity

95.0646

Polarizability

24.317133

Polar Surface Area

147.1

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

N-(2-羟乙基)乙二胺-N,N′,N′-三乙酸三钠盐水合物羟乙基乙二胺三乙酸三钠盐水合物HEDTA-Na3HEEDTAN-(2-Hydroxyethyl)ethylenediamine-N,N′,N′-triacetic acid trisodium salt hydrateN-{2[Bis(羧甲基)氨基]乙基}-N-(2-羟乙基)甘氨酸三钠盐N-(2-Hydroxyethyl)ethylenediamine-N,N′,N′-triacetic acid trisodium saltN-(2-羟乙基)乙二胺-N,N′,N′-三乙酸三钠溶液N-(2-Hydroxyethyl)ethylenediamine-N,N′,N′-triacetic acid trisodium salt solutionTrisodium N-(2-hydroxyethyl)ethylenediamine-N,N′,N′-triacetate solutionN-{2[Bis(carboxymethyl)amino]ethyl}-N-(2-hydroxyethyl)glycine trisodium saltN-(2-羟乙基)乙二胺-N,N′,N′-三乙酸三钠盐溶液N-(2-羟乙基)乙二胺-N,N′,N′-三乙酸三钠盐Trisodium N-(2-hydroxyethyl)ethylenediamine-N,N′,N′-triacetate hydrate

IUPAC Traditional name

trisodium 2-({2-[bis(carboxylatomethyl)amino]ethyl}(2-hydroxyethyl)amino)acetate

IUPAC name

trisodium 2-({2-[bis(carboxylatomethyl)amino]ethyl}(2-hydroxyethyl)amino)acetate

Names and Identifiers

Registration numbers

PubChem SID

2487859724861266162225895

EC Number

205-381-9

MDL Number

MFCD00043341