Detiviciclovir

Base Information

• Chemical Name: Detiviciclovir
• CAS No.: 220984-26-9
• Molecular Formula: C9H13 N5 O2
• Molecular Weight: 223.2318
• UNII: 088W05943X
• DSSTox Substance ID: DTXSID70176605
• Wikidata: Q27236387
• NCI Thesaurus Code: C77926
• Metabolomics Workbench ID: 144508
• ChEMBL ID: CHEMBL2105503
• Mol file: 220984-26-9.mol

Synonyms:Detiviciclovir;220984-26-9;Detiviciclovir [INN];2-((2-Amino-9H-purin-9-yl)methyl)propane-1,3-diol;AM 365;088W05943X;starbld0007065;SCHEMBL7744996;CHEMBL2105503;DTXSID70176605;UNII-088W05943X;HY-106175;CS-0025105;Q27236387

Chemical Property of Detiviciclovir

Chemical Property:

• Vapor Pressure: 2.12E-15mmHg at 25°C
• Boiling Point: 603.2°Cat760mmHg
• Flash Point: 318.6°C
• PSA: 110.81000
• Density: 1.63g/cm³
• LogP: -1.06060
• XLogP3: -1.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 223.10692467
• Heavy Atom Count: 16
• Complexity: 226

Purity/Quality:

97% ^*data from raw suppliers

DETIVICICLOVIR 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C2C(=NC(=N1)N)N(C=N2)CC(CO)CO