Adechlorin

Base Information

• Chemical Name: Adechlorin
• CAS No.: 96328-17-5
• Molecular Formula: C11H15 Cl N4 O4
• Molecular Weight: 302.716
• DSSTox Substance ID: DTXSID90914566
• Nikkaji Number: J81.895J
• Wikidata: Q82885367
• Metabolomics Workbench ID: 98400
• Mol file: 96328-17-5.mol

Synonyms:2'-chloro-2'-deoxycoformycin;2'-chloropentostatin;2'-CldCF;adechlorin

Chemical Property of Adechlorin

Chemical Property:

• Vapor Pressure: 2.75E-20mmHg at 25°C
• Boiling Point: 695.2°Cat760mmHg
• Flash Point: 374.2°C
• PSA: 112.13000
• Density: 1.93g/cm³
• LogP: -1.19810
• XLogP3: -1.8
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 302.0781827
• Heavy Atom Count: 20
• Complexity: 387

Purity/Quality:

99% ^*data from raw suppliers

ADECHLORIN 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: C1C(C2=C(NC=N1)N(C=N2)C3C(C(C(O3)CO)O)Cl)O
• Isomeric SMILES: C1[C@H](C2=C(NC=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)Cl)O

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