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6-Bnz-5'-AMP

CAT: 0931-T88526-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T88526-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
40871-55-4
Target
Others, Endogenous Metabolite
Related Pathways
Metabolism, Others
Bioactivity
6-Bnz-5'-AMP is a lipophilic analog of adenosine-5'-O-monophosphate and a potential metabolite of N6-Benzoyl-cAMP. It exhibits some cytokinin activity in tobacco and soybean tissue culture assays.
Smiles
O[C@H]1[C@H](N2C=3C(N=C2)=C(NC(=O)C4=CC=CC=C4)N=CN3)O[C@H](COP(=O)(O)O)[C@H]1O
Molecular Formula
C17H18N5O8P
Molecular Weight
451.33
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

[(2R,3S,4R,5R)-5-(6-benzamidopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
CAS Number40871-55-4
PubChem CID121397947
IUPAC Name[(2R,3S,4R,5R)-5-(6-benzamidopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
Molecular FormulaC17H18N5O8P
Molecular Weight451.3
XLogP-1.7
Topological Polar Surface Area189
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count11
Rotatable Bond Count6
Heavy Atom Count31
Formal Charge0
Complexity691
SMILES
C1=CC=C(C=C1)C(=O)NC2=C3C(=NC=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O
InChI
InChI=1S/C17H18N5O8P/c23-12-10(6-29-31(26,27)28)30-17(13(12)24)22-8-20-11-14(18-7-19-15(11)22)21-16(25)9-4-2-1-3-5-9/h1-5,7-8,10,12-13,17,23-24H,6H2,(H2,26,27,28)(H,18,19,21,25)/t10-,12-,13-,17-/m1/s1
InChIKey
KWNAXZAGEDSPKW-CNEMSGBDSA-N
Chemical Structure
2D Structure
2D structure of [(2R,3S,4R,5R)-5-(6-benzamidopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
CAS: 40871-55-4
CID: 121397947
Formula: C17H18N5O8P
MW: 451.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight451.3
XLogP3-1.7
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count11
Rotatable Bond Count6
Exact Mass451.08929955
Monoisotopic Mass451.08929955
Topological Polar Surface Area189 Ų
Heavy Atom Count31
Formal Charge0
Complexity691
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

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Alternative Products

CatalogName
BLG-B109-056-Bnz-5′-AMP
HY-1318446-Bnz-5'-AMP
MBS256623-01N6- Benzoyladenosine- 5'- O- monophosphate (6-Bnz-5'-AMP)
B 109-05N⁶- Benzoyladenosine- 5'- O- monophosphate (6-Bnz-5'-AMP), sodium salt
BLG-B009-506-Bnz-cAMP
BLG-B040-05Sp-6-Bnz-cAMPS
BLG-B079-056-Bnz-cAMP-AM
HY-1033226-Bnz-cAMP (sodium salt)
2544376-Bnz-cAMP sodium salt
BLG-B055-256-Bnz-8-PIP-cAMP

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