Cas no 3234-59-1 (2-[Bis[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl]amino]acetic acid)

2-[Bis[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl]amino]acetic acid structure
3234-59-1 structure
Product Name:2-[Bis[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl]amino]acetic acid
CAS No:3234-59-1
MF:C22H37N5O14
MW:595.554286718369
CID:2663717
Update Time:2023-08-06

2-[Bis[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl]amino]acetic acid Chemical and Physical Properties

Names and Identifiers

    • tetraethylenepentamineheptaacetic acid
    • 2-[Bis[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl]amino]acetic acid
    • Inchi: 1S/C22H37N5O14/c28-16(29)9-23(1-3-24(10-17(30)31)5-7-26(12-19(34)35)13-20(36)37)2-4-25(11-18(32)33)6-8-27(14-21(38)39)15-22(40)41/h1-15H2,(H,28,29)(H,30,31)(H,32,33)(H,34,35)(H,36,37)(H,38,39)(H,40,41)
    • InChI Key: BACRECGOSMWRAO-UHFFFAOYSA-N
    • SMILES: OC(CN(CCN(CC(=O)O)CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC(=O)O)=O

Computed Properties

  • Hydrogen Bond Donor Count: 7
  • Hydrogen Bond Acceptor Count: 19
  • Heavy Atom Count: 41
  • Rotatable Bond Count: 26
  • Complexity: 821
  • Topological Polar Surface Area: 277
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