7-(methylsulfanyl)-3-(2,3,5-tri-O-benzoylpentofuranosyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine

Base Information

• Chemical Name: 7-(methylsulfanyl)-3-(2,3,5-tri-O-benzoylpentofuranosyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine
• CAS No.: 53372-46-6
• Molecular Formula: C31H25N5O7S
• Molecular Weight: 611.6245
• NSC Number: 372342,173960
• DSSTox Substance ID: DTXSID40959649
• Mol file: 53372-46-6.mol

Synonyms:38874-40-7;NSC372342;DTXSID40959649;NSC173960;NSC-173960;NSC-372342;3H-1,3-Triazolo[4,5-d]pyrimidine, 7-(methylthio)-3-(2,3,5-tri-O-benzoyl-.beta.-D-ribofuranosyl)-;53372-46-6;7-(methylsulfanyl)-3-(2,3,5-tri-O-benzoylpentofuranosyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine

Chemical Property of 7-(methylsulfanyl)-3-(2,3,5-tri-O-benzoylpentofuranosyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine

Chemical Property:

• Vapor Pressure: 5.94E-25mmHg at 25°C
• Refractive Index: 1.697
• Boiling Point: 790.3°C at 760 mmHg
• Flash Point: 431.7°C
• Density: 1.45g/cm³
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 12
• Exact Mass: 611.14746933
• Heavy Atom Count: 44
• Complexity: 991

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC1=NC=NC2=C1N=NN2C3C(C(C(O3)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6