1,4,8,11-Tetraazacyclotetradecane-N,N',N'',N'''-tetraacetic acid

HCID 450233CAS 60239-22-7

基本情報

標準SMILES: O=C(O)CN1CCCN(CC(=O)O)CCN(CC(=O)O)CCCN(CC(=O)O)CC1
InChIKey: JVHROZDXPAUZFK-UHFFFAOYSA-N
分子式: C18H32N4O8
平均分子量: 432.5 g/mol
単同位体質量: 432.22201398

概要

TETA is an azamacrocyle in which four nitrogen atoms at positions 1, 4, 8 and 11 of a fouteen-membered ring are each substituted with a carboxymethyl group. It has a role as a copper chelator and a chelator. It derives from a hydride of a 1,4,8,11-tetraazacyclotetradecane.

名称と識別子

優先名称: 1,4,8,11-Tetraazacyclotetradecane-N,N',N'',N'''-tetraacetic acid
IUPAC: 2-[4,8,11-tris(carboxymethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetic acid
英語名: 1,4,8,11-Tetraazacyclotetradecane-1,4,8,11-tetraacetic acid
分子式: C18H32N4O8
分子量: 432.47

名称と別名

60239-22-71,4,8,11-tetraazacyclotetradecane-N,N',N'',N'''-tetraacetic acidRefChem:2199471,4,8,11-tetraazacyclotetradecane-1,4,8,11-tetraacetic acid2,2',2'',2'''-(1,4,8,11-tetraazacyclotetradecane-1,4,8,11-tetrayl)tetraacetic acidCHEBI:610302-[4,8,11-tris(carboxymethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetic acidEpitope ID:146096SCHEMBL454245JVHROZDXPAUZFK-UHFFFAOYSA-NDTXSID001171101AKOS016035740

名称をさらに表示

TETA (tetraTFA)

F577215Q271305751,4,8,11-tetraazacyclotetradecane N,N',N",N'"-tetraacetic acid1,4,8,11-tetraazacyclotetradecane-N,N',N",N'"-tetraacetic acid1,4,8,11-Tetraazacyclotetradecane-N,Na(2),Na(2)a(2),Na(2)a(2)a(2)-tetraacetic acid

データベース識別子

CAS: 60239-22-7
PubChem CID: 450233
DTXSID: DTXSID001171101
ChEBI: CHEBI:61030
Nikkaji: J351.296G

物性

構造計算による物性

XLogP: -9.9
極性表面積: 162 Å²
水素結合供与体数: 4
水素結合受容体数: 12
回転可能結合数: 8
重原子数: 30
形式電荷: 0
複雑度: 491

化学と産業

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