Thymidine, alpha-chloro-, 3',5'-bis(4-methylbenzoate)

Base Information

• Chemical Name: Thymidine, alpha-chloro-, 3',5'-bis(4-methylbenzoate)
• CAS No.: 19083-08-0
• Molecular Formula: C26H25ClN2O7
• Molecular Weight: 512.93900
• DSSTox Substance ID: DTXSID301235233
• Mol file: 19083-08-0.mol

Synonyms:DTXSID301235233;Thymidine, alpha-chloro-, 3',5'-bis(4-methylbenzoate);19083-08-0

Chemical Property of Thymidine, alpha-chloro-, 3',5'-bis(4-methylbenzoate)

Chemical Property:

• PSA: 116.69000
• Density: 1.40±0.1 g/cm3(Predicted)
• LogP: 3.26230
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 9
• Exact Mass: 512.1350288
• Heavy Atom Count: 36
• Complexity: 878

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C(=O)OCC2C(CC(O2)N3C=C(C(=O)NC3=O)CCl)OC(=O)C4=CC=C(C=C4)C
• Isomeric SMILES: CC1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)CCl)OC(=O)C4=CC=C(C=C4)C