Adenophostin B

Base Information

• Chemical Name: Adenophostin B
• CAS No.: 149091-93-0
• Molecular Formula: C₁₈H₂₈N₅O₁₉P₃
• Molecular Weight: 711.364
• DSSTox Substance ID: DTXSID401150208
• Nikkaji Number: J569.355A
• Wikidata: Q27116130
• Metabolomics Workbench ID: 114157
• Mol file: 149091-93-0.mol

Synonyms:adenophostin B

Chemical Property of Adenophostin B

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 1130.7°Cat760mmHg
• PKA: 1.83±0.10(Predicted)
• Flash Point: 637.6°C
• Density: 2.35g/cm³
• XLogP3: -6.5
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 23
• Rotatable Bond Count: 13
• Exact Mass: 711.05913467
• Heavy Atom Count: 45
• Complexity: 1190

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CC(=O)OCC1C(C(C(C(O1)OC2C(OC(C2OP(=O)(O)O)N3C=NC4=C(N=CN=C43)N)CO)O)OP(=O)(O)O)OP(=O)(O)O
• Isomeric SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]2OP(=O)(O)O)N3C=NC4=C(N=CN=C43)N)CO)O)OP(=O)(O)O)OP(=O)(O)O

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