(1R,3S)-3-(2-Amino-6-(cyclopropylamino)-9H-purin-9-yl)cyclopentanemethanol

Base Information

• Chemical Name: (1R,3S)-3-(2-Amino-6-(cyclopropylamino)-9H-purin-9-yl)cyclopentanemethanol
• CAS No.: 208762-35-0
• Molecular Formula: C14H20N6O
• Molecular Weight: 288.35
• UNII: L742JF988L
• DSSTox Substance ID: DTXSID601136931
• Wikidata: Q27282796
• Mol file: 208762-35-0.mol

Synonyms:208762-35-0;Abacavir sulfate impurity E [WHO-IP];267668-72-4;L742JF988L;(1R,3S)-3-(2-Amino-6-(cyclopropylamino)-9H-purin-9-yl)cyclopentanemethanol;(1R,3S)-3-[2-Amino-6-(cyclopropylamino)-9H-purin-9-yl]cyclopentanemethanol;((1R,3S)-3-(2-Amino-6-(cyclopropylamino)-9H-purin-9-yl)cyclopentyl)methanol;[(1R,3S)-3-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopentyl]methanol;((1R,3S)-3-(2-Amino-6-(cyclopropylamino)-9H-purin-9-yl)cyclopentyl)methanol [WHO-IP];[(1R,3S)-3-[2-Amino-6-(cyclopropylamino)-9H-purin-9-yl]cyclopentyl]methanol;3-(2-Amino-6-(cyclopropylamino)-9H-purin-9-yl)cyclopentanemethanol, (1R,3S)-;Cyclopentanemethanol, 3-(2-amino-6-(cyclopropylamino)-9H-purin-9-yl)-, (1R,3S)-;rel-((1R,3S)-3-(2-Amino-6-(cyclopropylamino)-9H-purin-9-yl)cyclopentyl)methanol;1KX;starbld0005144;Abacavir EP Impurity E;UNII-L742JF988L;SCHEMBL13530905;DTXSID601136931;ABACAVIR SULFATE IMPURITY E [EP IMPURITY];Q27282796;rel-(1R,3S)-3-[2-Amino-6-(cyclopropylamino)-9H-purin-9-yl]cyclopentanemethanol;Abacavir Impurity E

Chemical Property of (1R,3S)-3-(2-Amino-6-(cyclopropylamino)-9H-purin-9-yl)cyclopentanemethanol

Chemical Property:

• PKA: 15.05±0.10(Predicted)
• Storage Temp.: -20°C Freezer
• Solubility.: Methanol (Slightly), Water (Slightly)
• XLogP3: 1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 288.16985928
• Heavy Atom Count: 21
• Complexity: 379

Purity/Quality:

97% ^*data from raw suppliers

(1R,3S)-3-[2-Amino-6-(cyclopropylamino)-9H-purin-9-yl]cyclopentanemethanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CC1NC2=C3C(=NC(=N2)N)N(C=N3)C4CCC(C4)CO
• Isomeric SMILES: C1C[C@@H](C[C@@H]1CO)N2C=NC3=C(N=C(N=C32)N)NC4CC4
• Uses: (1R,3S)-3-[2-Amino-6-(cyclopropylamino)-9H-purin-9-yl]cyclopentanemethanol is an impurity of Abacavir (A105000), a nucleoside reverse transcriptase inhibitor.