tris-NTA Trifluoroacetic Acid Salt

Analyte Name

tris-NTA Trifluoroacetic Acid Salt

Molecular Formula

C45H69F3N8O24

Molecular Weight

1163.07

Accurate Mass

1162.44

SMILES

O=C(CC[C@@H](C(O)=O)N(CC(O)=O)CC(O)=O)N1CCN(C(CC[C@@H](C(O)=O)N(CC(O)=O)CC(O)=O)=O)CCCN(C(CCCCCN)=O)CCN(C(CC[C@@H](C(O)=O)N(CC(O)=O)CC(O)=O)=O)CCC1.O=C(O)C(F)(F)F

InChI

InChI=1S/C43H68N8O22.C2HF3O2/c44-13-3-1-2-6-31(52)45-14-4-15-47(33(54)11-8-29(42(70)71)50(24-37(60)61)25-38(62)63)20-21-48(34(55)12-9-30(43(72)73)51(26-39(64)65)27-40(66)67)17-5-16-46(19-18-45)32(53)10-7-28(41(68)69)49(22-35(56)57)23-36(58)59;3-2(4,5)1(6)7/h28-30H,1-27,44H2,(H,56,57)(H,58,59)(H,60,61)(H,62,63)(H,64,65)(H,66,67)(H,68,69)(H,70,71)(H,72,73);(H,6,7)/t28-,29-,30-;/m0./s1

IUPAC

2,2',2'',2''',2'''',2'''''-(((1S,1'S,1''S)-(11-(6-aminohexanoyl)-1,4,8,11-tetraazacyclotetradecane-1,4,8-triyl)tris(1-carboxy-4-oxobutane-4,1-diyl))tris(azanetriyl))hexaacetic acid

Alternate CAS Number

Free Base: 862778-60-7

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat