S-(6-Purinyl)homocysteine

Base Information

• Chemical Name: S-(6-Purinyl)homocysteine
• CAS No.: 136040-01-2
• Molecular Formula: C9H11 N5 O2 S
• Molecular Weight: 253.28
• DSSTox Substance ID: DTXSID00929242
• Nikkaji Number: J562.302B
• Wikidata: Q82904075
• Mol file: 136040-01-2.mol

Synonyms:S-(6-purinyl)homocysteine

Chemical Property of S-(6-Purinyl)homocysteine

Chemical Property:

• Vapor Pressure: 8.89E-17mmHg at 25°C
• Boiling Point: 630.7°Cat760mmHg
• Flash Point: 335.3°C
• Density: 1.57g/cm³
• XLogP3: -2.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 253.06334578
• Heavy Atom Count: 17
• Complexity: 280

Purity/Quality:

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: C1=NC2=C(N1)C(=NC=N2)SCCC(C(=O)O)N
• Isomeric SMILES: C1=NC2=C(N1)C(=NC=N2)SCC[C@@H](C(=O)O)N

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