5,12-Naphthacenedione, 7,8,9,10-tetrahydro-10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-8-(1-((1,3-dimethylbutylidene)hydrazono)ethyl)-1-methoxy-6,8,11-trihydroxy-, monohydrochloride, (8S-cis)-

Base Information

• Chemical Name: 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-8-(1-((1,3-dimethylbutylidene)hydrazono)ethyl)-1-methoxy-6,8,11-trihydroxy-, monohydrochloride, (8S-cis)-
• CAS No.: 128948-04-9
• Molecular Formula: C33H41 N3 O9 . Cl H
• Molecular Weight: 660.1543
• Mol file: 128948-04-9.mol

Synonyms:Rubomycin 13-(4''-methylpentylidene-2'')hydrazone hydrochloride;5,12-Naphthacenedione, 7,8,9,10-tetrahydro-10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-8-(1-((1,3-dimethylbutylidene)hydrazono)ethyl)-1-methoxy-6,8,11-trihydroxy-, monohydrochloride, (8S-cis)-;128948-04-9;LS-94063

Chemical Property of 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-8-(1-((1,3-dimethylbutylidene)hydrazono)ethyl)-1-methoxy-6,8,11-trihydroxy-, monohydrochloride, (8S-cis)-

Chemical Property:

• Vapor Pressure: 1.23E-26mmHg at 25°C
• Boiling Point: 794.8°Cat760mmHg
• Flash Point: 434.5°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 7
• Exact Mass: 659.2609576
• Heavy Atom Count: 46
• Complexity: 1180

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=NN=C(C)CC(C)C)C)O)N)O.Cl
• Isomeric SMILES: CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(/C(=N/N=C(\C)/CC(C)C)/C)O)N)O.Cl