N-Methyldaunomycin

Base Information

• Chemical Name: N-Methyldaunomycin
• CAS No.: 67508-86-5
• Molecular Formula: C28H31NO10
• Molecular Weight: 541.5464
• DSSTox Substance ID: DTXSID70986887
• Nikkaji Number: J1.683.729F
• Wikidata: Q82974971

Synonyms:N-Methyldaunomycin;67508-86-5;5,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-acetyl-6,8,11-trihydroxy-1-methoxy-11-((2,3,6-trideoxy-3-(methylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-, (8S-cis)-;SCHEMBL14164316;DTXSID70986887;3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-3-(methylamino)hexopyranoside

Chemical Property of N-Methyldaunomycin

Chemical Property:

• Vapor Pressure: 7.19E-25mmHg at 25°C
• Boiling Point: 768.9°Cat760mmHg
• Flash Point: 418.8°C
• Density: 1.5g/cm³
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 5
• Exact Mass: 541.19479619
• Heavy Atom Count: 39
• Complexity: 976

Purity/Quality:

Safty Information:

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MSDS Files:

Useful:

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

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