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Aldehyde Reactive Probe TFA

CAT: 0931-T35575-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T35575-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
627090-10-2
Target
Others
Related Pathways
Others
Bioactivity
Aldehyde Reactive Probe TFA (ARP TFA) is an aldehyde-reactive probe used to detect the level of abasic sites in plant mRNA.
Smiles
C(C(O)=O)(F)(F)F.C(CCCC(NNC(CON)=O)=O)[C@H]1[C@@]2([C@](CS1)(NC(=O)N2)[H])[H]
Molecular Formula
C14H22F3N5O6S
Molecular Weight
445.42
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Aldehyde Reactive Probe (trifluoroacetate salt)
CAS Number627090-10-2
PubChem CID91886087
IUPAC Name5-[(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
Molecular FormulaC14H22F3N5O6S
Molecular Weight445.42
Topological Polar Surface Area197
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count11
Rotatable Bond Count7
Heavy Atom Count29
Formal Charge0
Complexity519
SMILES
C1[C@H]2[C@@H]([C@@H](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
Chemical Structure
2D Structure
2D structure of Aldehyde Reactive Probe (trifluoroacetate salt)
CAS: 627090-10-2
CID: 91886087
Formula: C14H22F3N5O6S
MW: 445.42
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight445.42
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count11
Rotatable Bond Count7
Exact Mass445.12428910
Monoisotopic Mass445.12428910
Topological Polar Surface Area197 Ų
Heavy Atom Count29
Formal Charge0
Complexity519
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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