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Aldehyde Reactive Probe (trifluoroacetate salt) | CAS 627090-10-2

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Product Introduction

Aldehyde Reactive Probe is a biotinylated-aminooxy form of biotin that can used for the detection and quantification of AP sites in damaged DNA.

Synonyms	N-(Aminooxyacetyl)-N'-(D-biotinoyl)hydrazine, trifluoroacetic acid salt; ARP
IUPAC Name	5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N'-(2-aminooxyacetyl)pentanehydrazide;2,2,2-trifluoroacetic acid
Canonical SMILES	C1C2C(C(S1)CCCCC(=O)NNC(=O)CON)NC(=O)N2.C(=O)(C(F)(F)F)O
InChI	InChI=1S/C12H21N5O4S.C2HF3O2/c13-21-5-10(19)17-16-9(18)4-2-1-3-8-11-7(6-22-8)14-12(20)15-11;3-2(4,5)1(6)7/h7-8,11H,1-6,13H2,(H,16,18)(H,17,19)(H2,14,15,20);(H,6,7)/t7-,8-,11-;/m0./s1
InChIKey	YJYRTJQOEOYKFD-AEXHUXLESA-N
Appearance	White Solid

Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	7
Exact Mass	445.12428910 g/mol
Monoisotopic Mass	445.12428910 g/mol
Topological Polar Surface Area	197Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	519
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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