gadolinium(+3) cation; (2R,3R,4R,5S)-6-methylaminohexane-1,2,3,4,5-pentol; 2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid

More details:

• Systematic name

  gadolinium(+3) cation; (2R,3R,4R,5S)-6-methylaminohexane-1,2,3,4,5-pentol; 2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid

• SMILES

  [Gd+3].O=C(O)CN1CCN(CCN(CCN(CC(=O)O)CC1)CC(=O)O)CC(=O)O.O[C@@H](CNC)[C@@H](O)[C@H](O)[C@H](O)CO

• Std. InChi

  InChI=1S/C16H28N4O8.C7H17NO5.Gd/c21-13(22)9-17-1-2-18(10-14(23)24)5-6-20(12-16(27)28)8-7-19(4-3-17)11-15(25)26;1-8-2-4(10)6(12)7(13)5(11)3-9;/h1-12H2,(H,21,22)(H,23,24)(H,25,26)(H,27,28);4-13H,2-3H2,1H3;/q;;+3/t;4-,5+,6+,7+;/m.0./s1

• Std. InChIKey

  RYHQMKVRYNEBNJ-BMWGJIJESA-N

• Cite this record

  CSID:9673491, http://www.chemspider.com/Chemical-Structure.9673491.html (accessed 23:15, Jun 18, 2024)