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N6- (4-Hydroxybenzyl) adenosine

CAT: 0013-GTR19205331-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19205331-01Size:5 mg
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Description
N6- (4-Hydroxybenzyl) adenosine
CAS Number
110505-75-4
Product Name Alternative
Inhibitor, inhibit, Para-topolin riboside, N6- (4-Hydroxybenzyl) adenosine, P2YReceptor, P2Y Receptor, P2Y12
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Purity
98.03% (May vary between batches)
Solubility
DMSO:100 mg/mL (267.84 mM) ; H2O:< 0.1 mg/mL (insoluble) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:4 mg/mL (10.71 mM)
Smiles
OC[C@H]1O[C@H] ([C@H] (O) [C@@H]1O) n1cnc2c (NCc3ccc (O) cc3) ncnc12
Molecular Formula
C17H19N5O5
Molecular Weight
373.36
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N6-(4-Hydroxybenzyl)Adenine Riboside

N6-(4-hydroxybenzyl)adenosine has been reported in Gastrodia elata with data available.

CAS Number110505-75-4
PubChem CID10474479
IUPAC Name(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[(4-hydroxyphenyl)methylamino]purin-9-yl]oxolane-3,4-diol
Molecular FormulaC17H19N5O5
Molecular Weight373.4
XLogP0.8
Topological Polar Surface Area146
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity494
SMILES
C1=CC(=CC=C1CNC2=C3C(=NC=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)O
InChI
InChI=1S/C17H19N5O5/c23-6-11-13(25)14(26)17(27-11)22-8-21-12-15(19-7-20-16(12)22)18-5-9-1-3-10(24)4-2-9/h1-4,7-8,11,13-14,17,23-26H,5-6H2,(H,18,19,20)/t11-,13-,14-,17-/m1/s1
InChIKey
UGVIXKXYLBAZND-LSCFUAHRSA-N
Chemical Structure
2D Structure
2D structure of N6-(4-Hydroxybenzyl)Adenine Riboside
CAS: 110505-75-4
CID: 10474479
Formula: C17H19N5O5
MW: 373.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight373.4
XLogP30.8
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Exact Mass373.13861872
Monoisotopic Mass373.13861872
Topological Polar Surface Area146 Ų
Heavy Atom Count27
Formal Charge0
Complexity494
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