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Home > Encyclopedia > 3-[carboxy-[2-[[carboxy-(5-carboxy-2-hydroxyphenyl)methyl]amino]ethylamino]methyl]-4-hydroxybenzoic acid

3-[carboxy-[2-[[carboxy-(5-carboxy-2-hydroxyphenyl)methyl]amino]ethylamino]methyl]-4-hydroxybenzoic acid

3-[carboxy-[2-[[carboxy-(5-carboxy-2-hydroxyphenyl)methyl]amino]ethylamino]methyl]-4-hydroxybenzoic acid structure

3-[carboxy-[2-[[carboxy-(5-carboxy-2-hydroxyphenyl)methyl]amino]ethylamino]methyl]-4-hydroxybenzoic acid 

structure
  • CAS No:

    85120-53-2

  • Formula:

    C20H20N2O10

  • Chemical Name:

    3-[carboxy-[2-[[carboxy-(5-carboxy-2-hydroxyphenyl)methyl]amino]ethylamino]methyl]-4-hydroxybenzoic acid

  • Synonyms:

    3-[1-[2-[[1-(5-carboxy-2-hydroxyphenyl)-2-hydroxy-2-oxoethyl]amino]ethylamino]-2-hydroxy-2-oxoethyl]-4-hydroxybenzoic acid; 5-Carboxy-eddha; 5-Carboxyethylenediamine-N,N'-bis(2-hydroxyphenylacetic acid);

  • Categories:

    Organic Chemistry  >  Amides

3-[carboxy-[2-[[carboxy-(5-carboxy-2-hydroxyphenyl)methyl]amino]ethylamino]methyl]-4-hydroxybenzoic acid Basic Attributes

448.38000

448.11179484

Characteristics

213.72000

1.40680

1.605g/cm3

808ºC at 760 mmHg

442.5ºC

1.69

Drug Information

5-carboxy-EDDHA

Computed Properties

Molecular Weight:448.4
XLogP3:-3.2
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:11
Exact Mass:448.11179484
Monoisotopic Mass:448.11179484
Topological Polar Surface Area:214
Heavy Atom Count:32
Complexity:644
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of 3-[carboxy-[2-[[carboxy-(5-carboxy-2-hydroxyphenyl)methyl]amino]ethylamino]methyl]-4-hydroxybenzoic acid

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