Pentasodium DTPA(140-01-2) IR1
Product NamePentasodium DTPA
CAS140-01-2
Molecular FormulaC14H24N3NaO10
Molecular Weight417.35
InChIInChI=1S/C14H23N3O10.Na.H/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27;;/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27);;
InChIKey JDNBXCRAWIIWJD-UHFFFAOYSA-N
SmilesN(CC(=O)O)(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O.[NaH]
400 MHz in D2O
-
1H NMR 399.65 MHz C14 H18 N3 Na5 O10 0.05 ml : 0.5 ml D2O diethylenetriaminepentaacetic acid pentasodium salt 
Assign. Shift(ppm)
A 3.145 B 3.097 C *1 2.63 D *1 2.59
Hz ppm Int.1257.20 3.146 1000 1237.92 3.098 239 1059.57 2.652 31 1059.08 2.651 31 1056.76 2.645 40 1056.27 2.643 40 1051.03 2.630 124 1045.78 2.617 131 1037.11 2.596 130 1031.86 2.582 126 1026.61 2.569 40 1025.88 2.567 40 1024.05 2.563 30
in D2O
liquid film
