Nbtgr

Base Information

• Chemical Name: Nbtgr
• CAS No.: 129970-97-4
• Molecular Formula: C17H18 N6 O6 S
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID601017107
• Nikkaji Number: J417.855F
• Wikidata: Q82901103
• Pharos Ligand ID: MJC4RRSXDJFL
• ChEMBL ID: CHEMBL394171
• Mol file: 129970-97-4.mol

Synonyms:2-amino-6-((4-nitrobenzyl)thio)-9-beta-D-ribofuranosylpurine;6-(4-nitrobenzylthio)guanosine;6-(p-nitrobenzylthio)guanosine;NBTGR

Chemical Property of Nbtgr

Chemical Property:

• Boiling Point: 858.3°Cat760mmHg
• Flash Point: 472.9°C
• PSA: 211.39000
• Density: 1.87g/cm³
• LogP: 0.67380
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 5
• Exact Mass: 434.10085349
• Heavy Atom Count: 30
• Complexity: 608

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CSC2=NC(=NC3=C2N=CN3C4C(C(C(O4)CO)O)O)N)[N+](=O)[O-]
• Isomeric SMILES: C1=CC(=CC=C1CSC2=NC(=NC3=C2N=CN3[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N)[N+](=O)[O-]

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