1-[(2R,4S,5S)-4-amino-5-(hydroxymethyl)oxolan-2-yl]-5-[(E)-2-bromoethenyl]pyrimidine-2,4-dione

Base Information

• Chemical Name: 1-[(2R,4S,5S)-4-amino-5-(hydroxymethyl)oxolan-2-yl]-5-[(E)-2-bromoethenyl]pyrimidine-2,4-dione
• CAS No.: 80646-53-3
• Molecular Formula: C11H14BrN3O4
• Molecular Weight: 332.1506
• Nikkaji Number: J509.327I
• Mol file: 80646-53-3.mol

Synonyms:3'-amino-5-BVDU;5-(2-bromovinyl)-3-amino-2',3'-dideoxyuridine

Chemical Property of 1-[(2R,4S,5S)-4-amino-5-(hydroxymethyl)oxolan-2-yl]-5-[(E)-2-bromoethenyl]pyrimidine-2,4-dione

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 110.34000
• Density: 1.748g/cm³
• LogP: 0.20960
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 331.01677
• Heavy Atom Count: 19
• Complexity: 451

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: C1C(C(OC1N2C=C(C(=O)NC2=O)C=CBr)CO)N
• Isomeric SMILES: C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)/C=C/Br)CO)N

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