Thymidylylacetamido-(3'(O)-5'(C))-5'-deoxythymidine

Base Information

• Chemical Name: Thymidylylacetamido-(3'(O)-5'(C))-5'-deoxythymidine
• CAS No.: 132247-55-3
• Molecular Formula: C21H28 N6 O9
• Molecular Weight: 508.48
• DSSTox Substance ID: DTXSID90157451
• Mol file: 132247-55-3.mol

Synonyms:NH2d(TcmT);thymidylylacetamido-(3'(O)-5'(C))-5'-deoxythymidine

Chemical Property of Thymidylylacetamido-(3'(O)-5'(C))-5'-deoxythymidine

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 216.77000
• Density: 1.55g/cm³
• LogP: -0.37260
• XLogP3: -1.6
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 7
• Exact Mass: 508.19177649
• Heavy Atom Count: 36
• Complexity: 1030

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)NC1=O)C2CC(C(O2)OC(=O)NCC3C(CC(O3)N4C=C(C(=O)NC4=O)C)O)CN
• Isomeric SMILES: CC1=CN(C(=O)NC1=O)[C@@H]2C[C@@H]([C@H](O2)OC(=O)NC[C@@H]3[C@H](C[C@@H](O3)N4C=C(C(=O)NC4=O)C)O)CN