9-(5-O-Acetyl-3-bromo-3-deoxy-beta-D-xylofuranosyl)-9H-purin-6-amine

Base Information

• Chemical Name: 9-(5-O-Acetyl-3-bromo-3-deoxy-beta-D-xylofuranosyl)-9H-purin-6-amine
• CAS No.: 134665-27-3
• Molecular Formula: C₁₂H₁₄BrN₅O₄
• Molecular Weight: 372.178
• DSSTox Substance ID: DTXSID801167552
• Nikkaji Number: J378.805I
• Mol file: 134665-27-3.mol

Synonyms:DTXSID801167552;9-(5-O-Acetyl-3-bromo-3-deoxy-beta-D-xylofuranosyl)-9H-purin-6-amine;9-(5-O-Acetyl-3-C-bromo-3-deoxy-beta-D-xylofuranosyl)-9H-purin-6-amine;134665-27-3

Chemical Property of 9-(5-O-Acetyl-3-bromo-3-deoxy-beta-D-xylofuranosyl)-9H-purin-6-amine

Chemical Property:

• XLogP3: 0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 371.02292
• Heavy Atom Count: 22
• Complexity: 430

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)Br
• Isomeric SMILES: CC(=O)OC[C@@H]1[C@@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)Br