methyl 4-[4-(dimethylamino)-6-methyl-5-[6-methyl-5-[(6-methyl-5-oxo-2H-pyran-2-yl)oxy]oxan-2-yl]oxyoxan-2-yl]oxy-2-ethyl-2,5,7,10-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate

Base Information

• Chemical Name: methyl 4-[4-(dimethylamino)-6-methyl-5-[6-methyl-5-[(6-methyl-5-oxo-2H-pyran-2-yl)oxy]oxan-2-yl]oxyoxan-2-yl]oxy-2-ethyl-2,5,7,10-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
• CAS No.: 147657-35-0
• Molecular Formula: C42H51 N O15
• Molecular Weight: 809.85
• DSSTox Substance ID: DTXSID50933177
• Wikidata: Q82908981
• Mol file: 147657-35-0.mol

Synonyms:4''-aculosyl-4'-rhodinosyl-7-rhodosaminyl-epsilon-pyrromycinone;cinerubin R

Chemical Property of methyl 4-[4-(dimethylamino)-6-methyl-5-[6-methyl-5-[(6-methyl-5-oxo-2H-pyran-2-yl)oxy]oxan-2-yl]oxyoxan-2-yl]oxy-2-ethyl-2,5,7,10-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate

Chemical Property:

• Vapor Pressure: 1.84E-34mmHg at 25°C
• Boiling Point: 895.4°Cat760mmHg
• PKA: 6.20±0.70(Predicted)
• Flash Point: 495.3°C
• PSA: 217.05000
• Density: 1.44g/cm³
• LogP: 3.66850
• XLogP3: 5
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 10
• Exact Mass: 809.32586992
• Heavy Atom Count: 58
• Complexity: 1570

Purity/Quality:

CINERUBIN 95.00% ^*data from reagent 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)OC6CCC(C(O6)C)OC7C=CC(=O)C(O7)C)N(C)C)O