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Product Overview

Product Code

TRC-D494867

CAS Number

1823122-52-6

Product Format

Neat

Molecular Formula

C20H31N5O10 . C2HF3O2 . HPF6

Product Categories

TRC

Product Type

Impurity

Alternate CAS Number

170908-81-3

Documentation

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Product Information

Chemical Data

Analyte Name

DOTA-NHS-ester Hexafluorophosphate TFA Salt (Technical Grade)

CAS Number

1823122-52-6

Molecular Formula

C20H31N5O10 . C2HF3O2 . HPF6

Accurate Mass

761.172

SMILES

OC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)ON2C(=O)CCC2=O)CCN(CC(=O)O)CC1.OC(=O)C(F)(F)F.F[PH](F)(F)(F)(F)F

InChI

InChI=1S/C20H31N5O10.C2HF3O2.F6HP/c26-15-1-2-16(27)25(15)35-20(34)14-24-9-7-22(12-18(30)31)5-3-21(11-17(28)29)4-6-23(8-10-24)13-19(32)33;3-2(4,5)1(6)7;1-7(2,3,4,5)6/h1-14H2,(H,28,29)(H,30,31)(H,32,33);(H,6,7);7H

Alternate CAS Number

170908-81-3

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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