Chitinovorin C

Base Information

• Chemical Name: Chitinovorin C
• CAS No.: 95230-98-1
• Molecular Formula: C15H20 N4 O8 S
• Molecular Weight: 416.41
• DSSTox Substance ID: DTXSID10915055
• Nikkaji Number: J39.672I
• Wikidata: Q82885944
• Metabolomics Workbench ID: 97893
• Mol file: 95230-98-1.mol

Synonyms:chitinovorin C;chitinovorin-C

Chemical Property of Chitinovorin C

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 983°Cat760mmHg
• Flash Point: 548.3°C
• PSA: 224.66000
• Density: 1.67g/cm³
• LogP: -0.57090
• XLogP3: -4.5
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 9
• Exact Mass: 416.10018478
• Heavy Atom Count: 28
• Complexity: 742

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: C1C(=C(N2C(S1)C(C2=O)(NC=O)NC(=O)CCCC(C(=O)O)N)C(=O)O)CO
• Isomeric SMILES: C1C(=C(N2[C@H](S1)[C@](C2=O)(NC=O)NC(=O)CCC[C@H](C(=O)O)N)C(=O)O)CO

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