1-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-[methyl(pyren-1-ylmethyl)amino]oxolan-2-yl]pyrimidine-2,4-dione

Base Information

• Chemical Name: 1-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-[methyl(pyren-1-ylmethyl)amino]oxolan-2-yl]pyrimidine-2,4-dione
• CAS No.: 801220-51-9
• Molecular Formula: C27H25N3O5
• Molecular Weight: 471.513
• DSSTox Substance ID: DTXSID50466753
• Wikidata: Q82293377

Synonyms:801220-51-9;CTK3E6027;1-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-[methyl(pyren-1-ylmethyl)amino]oxolan-2-yl]pyrimidine-2,4-dione;DTXSID50466753

Chemical Property of 1-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-[methyl(pyren-1-ylmethyl)amino]oxolan-2-yl]pyrimidine-2,4-dione

Chemical Property:

• XLogP3: 3.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 471.17942091
• Heavy Atom Count: 35
• Complexity: 866

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Useful:

• Canonical SMILES: CN(CC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1)C5C(C(OC5N6C=CC(=O)NC6=O)CO)O
• Isomeric SMILES: CN(CC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1)[C@@H]5[C@@H]([C@H](O[C@H]5N6C=CC(=O)NC6=O)CO)O

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