Antibiotic D 788-11

Base Information

• Chemical Name: Antibiotic D 788-11
• CAS No.: 76034-18-9
• Molecular Formula: C₂₆H₂₉NO₉
• Molecular Weight: 499.518
• Wikidata: Q104402055
• Mol file: 76034-18-9.mol

Synonyms:(8S,10S)-10-(((4S,5S,6S)-4-amino-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-8-ethyl-1,6,8,11-tetrahydroxy-7,8,9,10-tetrahydrotetracene-5,12-dione;Antibiotic D 788-11;R 20X;BRN 4622067;5,12-Naphthacenedione, 7,8,9,10-tetrahydro-10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-8-ethyl-1,6,8,11-tetrahydroxy-, (8S-cis)-

Chemical Property of Antibiotic D 788-11

Chemical Property:

• Vapor Pressure: 2.44E-21mmHg at 25°C
• Boiling Point: 713.1°C at 760 mmHg
• Flash Point: 385°C
• PSA: 179.77000
• Density: 1.57g/cm³
• LogP: 2.24720
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 3
• Exact Mass: 499.18423150
• Heavy Atom Count: 36
• Complexity: 870

Purity/Quality:

≥95% ^*data from raw suppliers

13-DEOXOCARMINOMYCIN 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1(CC(C2=C(C1)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(C1)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4O)O)OC5C[C@@H]([C@@H]([C@@H](O5)C)O)N)O
• Uses: 13-Deoxycarminomycin is used as antitumor agents in preparation of 3''-Deamino-3''-(2"-pyrroline-1"-yl)-5-imine-13-deoxyanthracyclines. 13-Deoxycarminomycin is a doxA gene confers on the transformed host the ability to convert Daunomycin and 13-Dihydrodaunomycin to Doxorubicin.