5-Hydroxy-6-(1-acetoxyethyl)-2,7-dimethoxy-1,4-naphthalenedione

Base Information

• Chemical Name: 5-Hydroxy-6-(1-acetoxyethyl)-2,7-dimethoxy-1,4-naphthalenedione
• CAS No.: 68594-15-0
• Molecular Formula: C₁₆H₁₆O₇
• Molecular Weight: 320.299
• ChEMBL ID: CHEMBL2204405
• DSSTox Substance ID: DTXSID701151467
• Nikkaji Number: J2.965.054C
• Wikidata: Q105256478

Synonyms:68594-15-0;5-Hydroxy-6-(1-acetoxyethyl)-2,7-dimethoxy-1,4-naphthalenedione;1-(1-hydroxy-3,6-dimethoxy-5,8-dioxonaphthalen-2-yl)ethyl acetate;2,7-Dimethoxy-6-(1-acetoxyethyl)juglone;(-)-6-[1-(acetyloxy)ethyl]-5-hydroxy-2,7-dimethoxy-1,4-naphthalenedione;CHEMBL2204405;DTXSID701151467;HY-N10200;BS-1516;6-(1-Acetoxyethyl)2,7-dimethoxyjuglone;PD099408;CS-0371756;2,7-dimethoxy-5-hydroxy-6-(1-acetoxyethyl)-1,4-naphthoquinone

Chemical Property of 5-Hydroxy-6-(1-acetoxyethyl)-2,7-dimethoxy-1,4-naphthalenedione

Chemical Property:

• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 320.08960285
• Heavy Atom Count: 23
• Complexity: 539

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: CC(C1=C(C=C2C(=C1O)C(=O)C=C(C2=O)OC)OC)OC(=O)C

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