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A134974

CAT: 0013-GTR19195995-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19195995-03Size:100 mg
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Description
A134974 is a bioactive small molecule compound utilized in biochemical research. It serves as a valuable tool for in vitro and in vivo studies, particularly in the fields of cell signaling and pharmacology, to investigate specific biological pathways.
CAS Number
186141-75-3
Smiles
O[C@H]1[C@H] (N2C=3C (C (I) =C2) =C (N) N=CN3) C[C@H] (N) [C@H]1O
Molecular Formula
C11H14IN5O2
Molecular Weight
375.17
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

A 134974

structure in first source

CAS Number186141-75-3
PubChem CID9885936
IUPAC Name(1S,2R,3S,5R)-3-amino-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol
Molecular FormulaC11H14IN5O2
Molecular Weight375.17
XLogP-1.1
Topological Polar Surface Area123
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Heavy Atom Count19
Formal Charge0
Complexity349
SMILES
C1[C@@H]([C@H]([C@H]([C@@H]1N2C=C(C3=C(N=CN=C32)N)I)O)O)N
InChI
InChI=1S/C11H14IN5O2/c12-4-2-17(6-1-5(13)8(18)9(6)19)11-7(4)10(14)15-3-16-11/h2-3,5-6,8-9,18-19H,1,13H2,(H2,14,15,16)/t5-,6+,8+,9-/m0/s1
InChIKey
NSXJHIFQIZKLGF-LWIVVEGESA-N
Chemical Structure
2D Structure
2D structure of A 134974
CAS: 186141-75-3
CID: 9885936
Formula: C11H14IN5O2
MW: 375.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight375.17
XLogP3-1.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass375.01922
Monoisotopic Mass375.01922
Topological Polar Surface Area123 Ų
Heavy Atom Count19
Formal Charge0
Complexity349
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T29507-01A134974

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