Rhodirubin A

Base Information

• Chemical Name: Rhodirubin A
• CAS No.: 64253-73-2
• Molecular Formula: C42H55 N O16
• Molecular Weight: 829.98
• Nikkaji Number: J56.287D
• Wikidata: Q105305035
• Mol file: 64253-73-2.mol

Synonyms:Rhodirubin A;1-Hydroxy-MA-144-N1;MA144 N2;64253-73-2;1-Naphthacenecarboxylic acid, 2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7,10-tetrahydroxy-6,11-dioxo-4-((2,3,6-trideoxy-4-0-(2,6-dideoxy-4-O-((2S-(2-alpha,5-beta,6-beta))-tetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl)-alpha-L-lyxo-hexopyranosyl)-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-, methyl ester, (1R-(1-alpha,2-beta,4-beta))-

Chemical Property of Rhodirubin A

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 925.2°Cat760mmHg
• Flash Point: 513.3°C
• Density: 1.46g/cm³
• XLogP3: 4
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 17
• Rotatable Bond Count: 10
• Exact Mass: 829.35208467
• Heavy Atom Count: 59
• Complexity: 1520

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

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)OC6CC(C(C(O6)C)OC7CCC(C(O7)C)O)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]6C[C@@H]([C@@H]([C@@H](O6)C)O[C@H]7CC[C@@H]([C@@H](O7)C)O)O)N(C)C)O