1-(2-Hydroxyethoxymethyl)-5-[(3-phenylmethoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione

Base Information

• Chemical Name: 1-(2-Hydroxyethoxymethyl)-5-[(3-phenylmethoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione
• CAS No.: 138660-09-0
• Molecular Formula: C21H22 N2 O6
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID80930179
• Nikkaji Number: J562.244A
• Pharos Ligand ID: T3LPPDURDX31
• ChEMBL ID: CHEMBL1277898
• Mol file: 138660-09-0.mol

Synonyms:5-(3-benzyloxy)benzyl-1-((2-hydroxyethoxy)methyl)barbituric acid;5-benzyloxybenzylbarbituric acid acyclonucleoside;BBB acyclonucleoside;BBBA-5

Chemical Property of 1-(2-Hydroxyethoxymethyl)-5-[(3-phenylmethoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione

Chemical Property:

• Vapor Pressure: 1.14E-14mmHg at 25°C
• Boiling Point: 588°Cat760mmHg
• Flash Point: 309.4°C
• PSA: 105.17000
• Density: 1.332g/cm³
• LogP: 1.73580
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 398.14778643
• Heavy Atom Count: 29
• Complexity: 578

Purity/Quality:

5-(3-BENZYLOXY)BENZYL-1-((2-HYDROXYETHOXY)METHYL)BARBITURIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)COC2=CC=CC(=C2)CC3C(=O)NC(=O)N(C3=O)COCCO