sodium;3-[4-[2-[[6-amino-9-[(2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]amino]ethyl]phenyl]propanoic acid

Base Information

• Chemical Name: sodium;3-[4-[2-[[6-amino-9-[(2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]amino]ethyl]phenyl]propanoic acid
• CAS No.: 120225-64-1
• Molecular Formula: C23H29 N7 O6 . Na
• Molecular Weight: 521.50149
• Mol file: 120225-64-1.mol

Synonyms:CGS 21680C;120225-64-1;sodium;3-[4-[2-[[6-amino-9-[(2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]amino]ethyl]phenyl]propanoic acid;Benzenepropanoic acid, 4-(2-((6-amino-9-(N-ethyl-beta-D-ribofuranuronamidosyl)-9H-purin-2-yl)amino)ethyl)-, monosodium salt;C23-H29-N7-O6.Na

Chemical Property of sodium;3-[4-[2-[[6-amino-9-[(2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]amino]ethyl]phenyl]propanoic acid

Chemical Property:

• Melting Point: 167-174°C
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: g/cm³
• Storage Temp.: -20°C Freezer
• Solubility.: Water
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 10
• Exact Mass: 522.20770095
• Heavy Atom Count: 37
• Complexity: 755

Purity/Quality:

98%Min ^*data from raw suppliers

CGS 21680C Sodium Salt ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCNC(=O)C1C(C(C(O1)N2C=NC3=C(N=C(N=C32)NCCC4=CC=C(C=C4)CCC(=O)O)N)O)O.[Na+]
• Isomeric SMILES: CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=C(N=C32)NCCC4=CC=C(C=C4)CCC(=O)O)N)O)O.[Na+]
• Uses: A selective A2A receptor agonist. A selective A2A receptor agonist