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GR-79236

CAT: 1410-M10993-01Size: 1 EachDry Ice: NoHazardous: No
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Description
A potent and selective Adenosine A1 receptor agonist with Ki of 3.1 nM.
CAS Number
124555-18-6
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
351.3577
Molecular Formula
C15H21N5O5
Notes
Research use only, not for human use.
Receptor
Adenosine Receptor

Chemical Information

N-((1S,trans)-2-Hydroxycyclopentyl)adenosine

(2R,3R,4S,5R)-2-[6-[[(1S,2S)-2-hydroxycyclopentyl]amino]-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol is a purine nucleoside.

CAS Number124555-18-6
PubChem CID9884817
IUPAC Name(2R,3R,4S,5R)-2-[6-[[(1S,2S)-2-hydroxycyclopentyl]amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Molecular FormulaC15H21N5O5
Molecular Weight351.36
XLogP-0.1
Topological Polar Surface Area146
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity474
SMILES
C1C[C@@H]([C@H](C1)O)NC2=C3C(=NC=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O
InChI
InChI=1S/C15H21N5O5/c21-4-9-11(23)12(24)15(25-9)20-6-18-10-13(16-5-17-14(10)20)19-7-2-1-3-8(7)22/h5-9,11-12,15,21-24H,1-4H2,(H,16,17,19)/t7-,8-,9+,11+,12+,15+/m0/s1
InChIKey
GYWXTRVEUURNEW-TVDBPQCTSA-N
Chemical Structure
2D Structure
2D structure of N-((1S,trans)-2-Hydroxycyclopentyl)adenosine
CAS: 124555-18-6
CID: 9884817
Formula: C15H21N5O5
MW: 351.36
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight351.36
XLogP3-0.1
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Exact Mass351.15426879
Monoisotopic Mass351.15426879
Topological Polar Surface Area146 Ų
Heavy Atom Count25
Formal Charge0
Complexity474
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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