9-[3-s-Benzyl-2-o-(methylsulfonyl)-3-thio-5-o-tritylpentofuranosyl]-9h-purin-6-amine

Base Information

• Chemical Name: 9-[3-s-Benzyl-2-o-(methylsulfonyl)-3-thio-5-o-tritylpentofuranosyl]-9h-purin-6-amine
• CAS No.: 13516-39-7
• Molecular Formula: C37H35 N5 O5 S2
• Molecular Weight: 693.8343
• NSC Number: 97115
• DSSTox Substance ID: DTXSID40294562
• Mol file: 13516-39-7.mol

Synonyms:13516-39-7;NSC97115;9-[3-s-benzyl-2-o-(methylsulfonyl)-3-thio-5-o-tritylpentofuranosyl]-9h-purin-6-amine;DTXSID40294562;NSC-97115

Chemical Property of 9-[3-s-Benzyl-2-o-(methylsulfonyl)-3-thio-5-o-tritylpentofuranosyl]-9h-purin-6-amine

Chemical Property:

• Vapor Pressure: 2.78E-32mmHg at 25°C
• Refractive Index: 1.682
• Boiling Point: 889.6°C at 760 mmHg
• Flash Point: 491.8°C
• Density: 1.36g/cm³
• XLogP3: 5.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 12
• Exact Mass: 693.20796158
• Heavy Atom Count: 49
• Complexity: 1090

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)(=O)OC1C(C(OC1N2C=NC3=C(N=CN=C32)N)COC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)SCC7=CC=CC=C7