Aldehyde Reactive Probe (trifluoroacetate salt)

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Aldehyde Reactive Probe (trifluoroacetate salt)

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

Catelog Number A19-0039
Category DNA Stains
Molecular Formula C14H22F3N5O6S
Molecular Weight 445.41
Catalog Number Size Price Quantity
A19-0039 -- $--

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.

Chemical Information

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
InChI Key YJYRTJQOEOYKFD-AEXHUXLESA-N
Appearance White Solid

Computed Properties

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 197Ų
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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