5,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-acetyl-10-((3-amino-3,6-dideoxy-alpha-L-talopyranosyl)oxy)-1-methoxy-6,8,11-trihydroxy-, (8S-cis)-

Base Information

• Chemical Name: 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-acetyl-10-((3-amino-3,6-dideoxy-alpha-L-talopyranosyl)oxy)-1-methoxy-6,8,11-trihydroxy-, (8S-cis)-
• CAS No.: 66145-82-2
• Molecular Formula: C27H29NO11
• Molecular Weight: 543.5193
• DSSTox Substance ID: DTXSID40984618
• Nikkaji Number: J632.828H
• Wikidata: Q76152883

Synonyms:DR-16;7-O-(3,6-Didesoxy-3-amino-alpha-D-mannopyranosyl)-daunorubicin;5,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-acetyl-10-((3-amino-3,6-dideoxy-alpha-L-talopyranosyl)oxy)-1-methoxy-6,8,11-trihydroxy-, (8S-cis)-;66145-82-2;5,12-Naphthacenedione, 8-acetyl-10-((3-amino-3,6-dideoxy-alpha-L-talopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, (8S-cis)-;DTXSID40984618;LS-94008;3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-3,6-dideoxyhexopyranoside

Chemical Property of 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-acetyl-10-((3-amino-3,6-dideoxy-alpha-L-talopyranosyl)oxy)-1-methoxy-6,8,11-trihydroxy-, (8S-cis)-

Chemical Property:

• Vapor Pressure: 4.67E-28mmHg at 25°C
• Boiling Point: 814.6°Cat760mmHg
• PKA: 7.39±0.60(Predicted)
• Flash Point: 446.5°C
• Density: 1.61g/cm³
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 6
• 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):  
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MSDS Files:

Useful:

• Canonical SMILES: CC1C(C(C(C(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O)O)N)O
• Isomeric SMILES: C[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O)O)N)O

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