2-Amino-1,9-dihydro-9-((1S,3R,4R)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl)-6H-purin-6-one

Base Information

• Chemical Name: 2-Amino-1,9-dihydro-9-((1S,3R,4R)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl)-6H-purin-6-one
• CAS No.: 1367369-80-9
• Molecular Formula: C12H15N5O3
• Molecular Weight: 277.28
• UNII: Q3Y15NS7O7
• Mol file: 1367369-80-9.mol

Synonyms:1367369-80-9;Entecavir 4-epimer;Q3Y15NS7O7;2-Amino-1,9-dihydro-9-((1S,3R,4R)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl)-6H-purin-6-one;2-Amino-9-[(1S,3R,4R)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-1H-purin-6-one;9-((1S,3R,4R)-4-Hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl)guanine;2-Amino-9-((1S,3R,4R)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl)-1,9-dihydro-6H-purin-6-one;Entecavir impurity EP D;2-Amino-1,9-dihydro-9-[(1S,3R,4R)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-6H-purin-6-one;6H-Purin-6-one, 2-amino-1,9-dihydro-9-((1S,3R,4R)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl)-;6H-Purin-6-one, 2-amino-1,9-dihydro-9-[(1S,3R,4R)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-;4 inverted exclamation mark -epi-Entecavir;Entecavir 4-epimer [USP];UNII-Q3Y15NS7O7;SCHEMBL17109567;ENTECAVIR 4-EPIMER [USP IMPURITY];CS-0166080;2-amino-9-((1S,3R,4R)-4-hydroxy-3-(hydroxymethyl)-2- methylenecyclopentyl)-1,9-dihydro-6H-purin-6-one;2-Amino-9-((1S,3R,4R)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl)-1H-purin-6(9H)-one;2-amino-9-((1S,3R,4R)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl)-1H-purin-6(9H)-one? (Entecavir Impurity;2-Amino-9-[(1S,3R,4R)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-1,9-dihydro-6H-purin-6-one;6H-Purin-6-one, 2-amino-1,9-dihydro-9-[(1R,3S,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-, rel-;935837-39-1

Chemical Property of 2-Amino-1,9-dihydro-9-((1S,3R,4R)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl)-6H-purin-6-one

Chemical Property:

• PKA: 14.22±0.60(Predicted)
• Storage Temp.: -20°C Freezer
• Solubility.: DMSO (Slightly), Methanol (Slightly, Heated, Sonicated)
• XLogP3: -1.3
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 277.11748936
• Heavy Atom Count: 20
• Complexity: 480

Purity/Quality:

97% ^*data from raw suppliers

4’-epi-Entecavir ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C=C1C(CC(C1CO)O)N2C=NC3=C2N=C(NC3=O)N
• Isomeric SMILES: C=C1[C@H](C[C@H]([C@H]1CO)O)N2C=NC3=C2N=C(NC3=O)N
• Uses: 4’-epi-Entecavir is an epimeric impurity of the antiviral drug Entecavir (E558900).