10-Carboxy-13-deoxycarminomycin

Base Information

• Chemical Name: 10-Carboxy-13-deoxycarminomycin
• CAS No.: 97583-07-8
• Molecular Formula: C27H29 N O11
• Molecular Weight: 543.52
• DSSTox Substance ID: DTXSID50913813
• Nikkaji Number: J91.946B
• Wikidata: Q27114098
• Metabolomics Workbench ID: 68163
• Mol file: 97583-07-8.mol

Synonyms:10-carboxy-13-deoxocarminomycin;D 788-1;D-788-1;D788-1

Chemical Property of 10-Carboxy-13-deoxycarminomycin

Chemical Property:

• Vapor Pressure: 2.43E-23mmHg at 25°C
• Boiling Point: 745.5°Cat760mmHg
• Flash Point: 404.6°C
• PSA: 217.07000
• Density: 1.65g/cm³
• LogP: 1.87290
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 4
• Exact Mass: 543.17406074
• Heavy Atom Count: 39
• Complexity: 993

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1(CC(C2=C(C1C(=O)O)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4O)O)OC5CC(C(C(O5)C)O)N)O
• Isomeric SMILES: CC[C@]1(C[C@@H](C2=C([C@H]1C(=O)O)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4O)O)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)N)O