1-[1,6-dihydroxy-3-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynaphthalen-2-yl]ethanone

Base Information

• Chemical Name: 1-[1,6-dihydroxy-3-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynaphthalen-2-yl]ethanone
• CAS No.: 23566-96-3
• Molecular Formula: C₁₉H₂₂O₉
• Molecular Weight: 394.378
• Nikkaji Number: J88.178C
• Wikidata: Q105287163
• Mol file: 23566-96-3.mol

Synonyms:23566-96-3;NSC 362402;1-[1,6-dihydroxy-3-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynaphthalen-2-yl]ethanone;C19H22O9;C19-H22-O9;Compound NP-009013;6-Hydroxymusizin 8-O-glucoside;AKOS040739257

Chemical Property of 1-[1,6-dihydroxy-3-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynaphthalen-2-yl]ethanone

Chemical Property:

• Vapor Pressure: 2.68E-21mmHg at 25°C
• Boiling Point: 712.4°C at 760 mmHg
• Flash Point: 256.1°C
• PSA: 156.91000
• Density: 1.544g/cm³
• LogP: -0.05930
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 4
• Exact Mass: 394.12638228
• Heavy Atom Count: 28
• Complexity: 558

Purity/Quality:

99%min ^*data from raw suppliers

Tinnevellin glucoside ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=CC(=CC(=C2C(=C1C(=O)C)O)OC3C(C(C(C(O3)CO)O)O)O)O
• Isomeric SMILES: CC1=CC2=CC(=CC(=C2C(=C1C(=O)C)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O
• Uses: Tinnevellin Glucoside is a benzophenone glucoside used primarily as a laxative medicine.