(4aR,6R,7R,7aS)-6-(6-aminopurin-9-yl)-2-hydroxy-2-sulfanyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-ium-7-ol

Base Information

• Chemical Name: (4aR,6R,7R,7aS)-6-(6-aminopurin-9-yl)-2-hydroxy-2-sulfanyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-ium-7-ol
• CAS No.: 73208-40-9
• Molecular Formula: C10H12 N5 O5 P S
• Molecular Weight: 446.46
• DSSTox Substance ID: DTXSID30993936
• Nikkaji Number: J1.523.599C,J1.521.902E
• Mol file: 73208-40-9.mol

Synonyms:(4aR,6R,7R,7aS)-6-(6-aminopurin-9-yl)-2-hydroxy-2-sulfanyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-ium-7-ol;DTXSID30993936;LS-181915;6-(6-Amino-9H-purin-9-yl)-2,7-dihydroxy-2-sulfanyltetrahydro-2H,4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-ium

Chemical Property of (4aR,6R,7R,7aS)-6-(6-aminopurin-9-yl)-2-hydroxy-2-sulfanyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-ium-7-ol

Chemical Property:

• PSA: 186.46000
• LogP: 2.04940
• Storage Temp.: −20°C
• Solubility.: H2O: soluble
• XLogP3: -1.5
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 1
• Exact Mass: 346.03750170
• Heavy Atom Count: 22
• Complexity: 454

Purity/Quality:

98%Min ^*data from raw suppliers

Rp-cAMPS ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1C2C(C(C(O2)N3C=NC4=C(N=CN=C43)N)O)O[P+](O1)(O)S
• Isomeric SMILES: C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)O[P+](O1)(O)S