BzATP Ammonium Salt (Mixture of 2'-3' isomers)
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- structure.search.product.name BzATP Ammonium Salt (Mixture of 2'-3' isomers)
- Product Code: TRC-B820005
- Brand: TRC
Product Overview
Product Code
TRC-B820005
Product Format
Neat
Molecular Formula
C24H24N5O15P3 xNH3
Molecular Weight
715.39
Product Categories
TRC, Purines, Additional Cancer Bioactive Molecules, Purinergic P2Y receptors, Neuroinflammation Research Chemicals & Analytical Standards, Neuroinflammation Research Chemicals & Analytical Standards, Pain and Inflammation, Nucleotides & nucleosides, Nucleobase, nucleoside & nucleotide derivatives, Nucleotides and nucleosides
Alternate CAS Number
Documentation
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Product Information
Chemical Data
Analyte Name
BzATP Ammonium Salt (Mixture of 2'-3' isomers)
Molecular Formula
C24H24N5O15P3 xNH3
Molecular Weight
715.39
SMILES
NC1=NC=NC2=C1N=CN2[C@H](O3)[C@H](OC(C4=CC=C(C(C5=CC=CC=C5)=O)C=C4)=O)[C@H](O)[C@H]3CO[P](O[P](O[P](O)(O)=O)(O)=O)(O)=O.O=C(O[C@H]6[C@@H](O)[C@H](N7C(N=CN=C8N)=C8N=C7)O[C@@H]6CO[P](O[P](O[P](O)(O)=O)(O)=O)(O)=O)C9=CC=C(C(C%10=CC=CC=C%10)=O)C=C9
InChI
InChI=1S/2C24H24N5O15P3/c25-21-17-22(27-11-26-21)29(12-28-17)23-19(31)20(16(41-23)10-40-46(36,37)44-47(38,39)43-45(33,34)35)42-24(32)15-8-6-14(7-9-15)18(30)13-4-2-1-3-5-13;25-21-17-22(27-11-26-21)29(12-28-17)23-20(19(31)16(41-23)10-40-46(36,37)44-47(38,39)43-45(33,34)35)42-24(32)15-8-6-14(7-9-15)18(30)13-4-2-1-3-5-13/h2*1-9,11-12,16,19-20,23,31H,10H2,(H,36,37)(H,38,39)(H2,25,26,27)(H2,33,34,35)/t2*16-,19-,20-,23-/m11/s1
IUPAC
[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] 4-benzoylbenzoate;[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] 4-benzoylbenzoate
Alternate CAS Number
3'-isomer: 81790-82-1; 3'-isomer TEA salt: 112898-15-4
Product Data
Storage Temperature
-20°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Format
Neat
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