6-[6-Amino-8-(methylsulfanyl)-9H-purin-9-yl]-2,5-dihydroxytetrahydro-2H,4H-2lambda~5~-furo[2,3-d][1,3,2]dioxaphosphinin-2-one

Base Information

• Chemical Name: 6-[6-Amino-8-(methylsulfanyl)-9H-purin-9-yl]-2,5-dihydroxytetrahydro-2H,4H-2lambda~5~-furo[2,3-d][1,3,2]dioxaphosphinin-2-one
• CAS No.: 30630-07-0
• Molecular Formula: C11H14 N5 O6 P S
• Molecular Weight: 375.2975
• DSSTox Substance ID: DTXSID30952902
• Mol file: 30630-07-0.mol

Synonyms:DTXSID30952902;6-[6-Amino-8-(methylsulfanyl)-9H-purin-9-yl]-2,5-dihydroxytetrahydro-2H,4H-2lambda~5~-furo[2,3-d][1,3,2]dioxaphosphinin-2-one

Chemical Property of 6-[6-Amino-8-(methylsulfanyl)-9H-purin-9-yl]-2,5-dihydroxytetrahydro-2H,4H-2lambda~5~-furo[2,3-d][1,3,2]dioxaphosphinin-2-one

Chemical Property:

• Vapor Pressure: 1.91E-22mmHg at 25°C
• Boiling Point: 731.2°Cat760mmHg
• PKA: 0.97±0.60(Predicted)
• Flash Point: 396°C
• PSA: 189.95000
• Density: 2.3g/cm³
• LogP: 0.48570
• XLogP3: -1.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 2
• Exact Mass: 375.04024135
• Heavy Atom Count: 24
• Complexity: 547

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC1=NC2=C(N=CN=C2N1C3C(C4COP(=O)(OC4O3)O)O)N
• Isomeric SMILES: CSC1=NC2=C(N=CN=C2N1[C@H]3[C@@H](C4COP(=O)(OC4O3)O)O)N