N-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfamoyl]-2-hydroxybenzamide

Base Information

• Chemical Name: N-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfamoyl]-2-hydroxybenzamide
• CAS No.: 873556-29-7
• Molecular Formula: C17H19N7O7S
• Molecular Weight: 465.44000
• ChEMBL ID: CHEMBL377483
• DSSTox Substance ID: DTXSID90469208

Synonyms:CHEMBL377483;873556-29-7;N-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfamoyl]-2-hydroxybenzamide;SCHEMBL20711315;DTXSID90469208;BDBM50465699;N-(N-(((2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)sulfamoyl)-2-hydroxybenzamide

Chemical Property of N-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfamoyl]-2-hydroxybenzamide

Chemical Property:

• PSA: 226.68000
• Density: 1.94±0.1 g/cm3(Predicted)
• LogP: 0.62540
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 6
• Exact Mass: 465.10666714
• Heavy Atom Count: 32
• Complexity: 784

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C(=O)NS(=O)(=O)NCC2C(C(C(O2)N3C=NC4=C(N=CN=C43)N)O)O)O
• Isomeric SMILES: C1=CC=C(C(=C1)C(=O)NS(=O)(=O)NC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)O)O

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