N-Benzoyl-2'-O-(9-phenyl-9H-xanthen-9-yl)adenosine

Base Information

• Chemical Name: N-Benzoyl-2'-O-(9-phenyl-9H-xanthen-9-yl)adenosine
• CAS No.: 84315-17-3
• Molecular Formula: C36H29N5O6
• Molecular Weight: 627.64500
• DSSTox Substance ID: DTXSID50556805
• Wikidata: Q82438496

Synonyms:84315-17-3;N-Benzoyl-2'-O-(9-phenyl-9H-xanthen-9-yl)adenosine;DTXSID50556805;N-(9-((2R,3R,4R,5R)-4-Hydroxy-5-(hydroxymethyl)-3-((9-phenyl-9H-xanthen-9-yl)oxy)tetrahydrofuran-2-yl)-9H-purin-6-yl)benzamide

Chemical Property of N-Benzoyl-2'-O-(9-phenyl-9H-xanthen-9-yl)adenosine

Chemical Property:

• PSA: 144.34000
• LogP: 5.19620
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 7
• Exact Mass: 627.21178366
• Heavy Atom Count: 47
• Complexity: 1050

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)NC2=C3C(=NC=N2)N(C=N3)C4C(C(C(O4)CO)O)OC5(C6=CC=CC=C6OC7=CC=CC=C75)C8=CC=CC=C8
• Isomeric SMILES: C1=CC=C(C=C1)C(=O)NC2=C3C(=NC=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)OC5(C6=CC=CC=C6OC7=CC=CC=C75)C8=CC=CC=C8

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