3-(3-Oxo-1-propenyl)-3'-azido-3'-deoxythymidine

Base Information

• Chemical Name: 3-(3-Oxo-1-propenyl)-3'-azido-3'-deoxythymidine
• CAS No.: 111495-98-8
• Molecular Formula: C13H15N5O5
• Molecular Weight: 321.2887
• Nikkaji Number: J519.718J
• ChEMBL ID: CHEMBL3392149
• Mol file: 111495-98-8.mol

Synonyms:3-(3-Oxo-1-propenyl)AZT;3-(3-Oxo-1-propenyl)-3'-azido-3'-deoxythymidine;111495-98-8;CHEMBL3392149;3'-Azido-3'-deoxy-3-(2-formylethenyl)thymidine;(E)-3-[3-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-2,6-dioxo-pyrimidin-1-yl]prop-2-enal

Chemical Property of 3-(3-Oxo-1-propenyl)-3'-azido-3'-deoxythymidine

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: g/cm³
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 321.10731860
• Heavy Atom Count: 23
• Complexity: 624

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CN(C(=O)N(C1=O)C=CC=O)C2CC(C(O2)CO)N=[N+]=[N-]
• Isomeric SMILES: CC1=CN(C(=O)N(C1=O)/C=C/C=O)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-]