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N6-Cyclohexyladenosine 25mg

CAT: 0628-A21008-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0628-A21008-25Size:25 mg
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CAS Number
36396-99-3

Chemical Information

N(6)-Cyclohexyladenosine

structure given in first source; receptors, purinergic P1 agonist

CAS Number36396-99-3
PubChem CID104945
IUPAC Name(3R,4S)-2-[6-(cyclohexylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Molecular FormulaC16H23N5O4
Molecular Weight349.38
XLogP1.4
Topological Polar Surface Area126
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity452
SMILES
C1CCC(CC1)NC2=C3C(=NC=N2)N(C=N3)C4[C@@H]([C@@H](C(O4)CO)O)O
InChI
InChI=1S/C16H23N5O4/c22-6-10-12(23)13(24)16(25-10)21-8-19-11-14(17-7-18-15(11)21)20-9-4-2-1-3-5-9/h7-10,12-13,16,22-24H,1-6H2,(H,17,18,20)/t10?,12-,13-,16?/m1/s1
InChIKey
SZBULDQSDUXAPJ-WXURJZIFSA-N
Chemical Structure
2D Structure
2D structure of N(6)-Cyclohexyladenosine
CAS: 36396-99-3
CID: 104945
Formula: C16H23N5O4
MW: 349.38
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight349.38
XLogP31.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass349.17500423
Monoisotopic Mass349.17500423
Topological Polar Surface Area126 Ų
Heavy Atom Count25
Formal Charge0
Complexity452
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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T12160-01N6-Cyclohexyladenosine
MBS256414-01N6- Cyclohexyladenosine- 5'- O- diphosphate (6-cHe-ADP)
MBS256338-01N6- Cyclohexyladenosine- 5'- O- triphosphate (6-cHe-ATP)
C 085-25N6- Cyclohexyladenosine- 5'- O- diphosphate (6-cHe-ADP), sodium salt
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