Rhodirubin B

Base Information

• Chemical Name: Rhodirubin B
• CAS No.: 64502-82-5
• Molecular Formula: C42H55 N O15
• Molecular Weight: 813.98
• DSSTox Substance ID: DTXSID80983069
• Nikkaji Number: J92.534I
• Wikidata: Q76149911
• Mol file: 64502-82-5.mol

Synonyms:Rhodirubin B;64502-82-5;1-Naphthacenecarboxylic acid, 1,2,3,4,6,11-hexahydro-2-ethyl-2,5,7,10-tetrahydroxy-6,11-dioxo-4-((2,3,6-trideoxy-3-(dimethylamino)-4-O-((2S-(2-alpha,5-beta(2R*,5R*,6R*),6-beta))-tetrahydro-6-methyl-5-((tetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl)oxy)-2H-pyran-2-yl)-alpha-L-lyxo-hexopyranosyl)oxy)-, methyl ester, (1R-(1-alpha,2-beta,4-beta))-;DTXSID80983069;LS-93965;Methyl 2-ethyl-2,5,7,10-tetrahydroxy-6,11-dioxo-4-{[2,3,6-trideoxy-3-(dimethylamino)-4-O-{5-[(5-hydroxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate

Chemical Property of Rhodirubin B

Chemical Property:

• Boiling Point: 889°Cat760mmHg
• Flash Point: 491.4°C
• Density: 1.42g/cm³
• XLogP3: 5
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 10
• Exact Mass: 813.35717005
• Heavy Atom Count: 58
• Complexity: 1480

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Safety Statements: Poison by intraperitoneal route. Mutation data reported. When heated to decomposition it emits toxic fumes o"> x." target="_blank">Poison by intraperitoneal route. Mutation data reported. When heated to decomposition it emits toxic fumes o

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1(CC(C2=C(C3=C(C=C2C1C(=O)OC)C(=O)C4=C(C=CC(=C4C3=O)O)O)O)OC5CC(C(C(O5)C)OC6CCC(C(O6)C)OC7CCC(C(O7)C)O)N(C)C)O
• Isomeric SMILES: CC[C@]1(C[C@@H](C2=C(C3=C(C=C2[C@H]1C(=O)OC)C(=O)C4=C(C=CC(=C4C3=O)O)O)O)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O[C@H]6CC[C@@H]([C@@H](O6)C)O[C@H]7CC[C@@H]([C@@H](O7)C)O)N(C)C)O