7-Deoxypactamycin

Base Information

• Chemical Name: 7-Deoxypactamycin
• CAS No.: 104820-96-4
• Molecular Formula: C28H38 N4 O7
• Molecular Weight: 542.6239
• DSSTox Substance ID: DTXSID00146770
• Nikkaji Number: J358.734G
• Wikidata: Q75063567
• Metabolomics Workbench ID: 117691
• Mol file: 104820-96-4.mol

Synonyms:7-deoxypactamycin;cranomycin;PD 113618;PD-113618

Chemical Property of 7-Deoxypactamycin

Chemical Property:

• Boiling Point: 749.1°Cat760mmHg
• Flash Point: 406.8°C
• Density: 1.33g/cm³
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 9
• Exact Mass: 542.27404956
• Heavy Atom Count: 39
• Complexity: 918

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC1(C(C(C(C1(C)O)(COC(=O)C2=C(C=CC=C2O)C)O)NC3=CC=CC(=C3)C(=O)C)N)NC(=O)N(C)C
• Isomeric SMILES: CC[C@@]1([C@H]([C@@H]([C@@]([C@]1(C)O)(COC(=O)C2=C(C=CC=C2O)C)O)NC3=CC=CC(=C3)C(=O)C)N)NC(=O)N(C)C