[3,4-dihydroxy-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl diphenyl phosphate

Base Information

• Chemical Name: [3,4-dihydroxy-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl diphenyl phosphate
• CAS No.: 6313-15-1
• Molecular Formula: C22H21 N4 O7 P S
• Molecular Weight: 516.4635
• DSSTox Substance ID: DTXSID40401436
• NSC Number: 40632
• Mol file: 6313-15-1.mol

Synonyms:NSC40632;6313-15-1;DTXSID40401436;NSC-40632

Chemical Property of [3,4-dihydroxy-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl diphenyl phosphate

Chemical Property:

• Vapor Pressure: 2.74E-24mmHg at 25°C
• Boiling Point: 760.1°Cat760mmHg
• Flash Point: 413.5°C
• Density: 1.63g/cm³
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 8
• Exact Mass: 516.08685719
• Heavy Atom Count: 35
• Complexity: 802

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)OP(=O)(OCC2C(C(C(O2)N3C=NC4=C3NC=NC4=S)O)O)OC5=CC=CC=C5