5,7-Dihydroxy-2-(2-hydroxyphenyl)-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one

Base Information

• Chemical Name: 5,7-Dihydroxy-2-(2-hydroxyphenyl)-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one
• CAS No.: 16310-92-2
• Molecular Formula: C₂₇H₃₀O₁₅
• Molecular Weight: 594.526
• DSSTox Substance ID: DTXSID30421269
• Wikidata: Q82232694
• Mol file: 16310-92-2.mol

Synonyms:Datiscin;5,7-dihydroxy-2-(2-hydroxyphenyl)-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one;16310-92-2;AC1NYKG7;Datiscetin-3-O-rutinoside;DTXSID30421269;STL564724;AKOS037623176;5,7-dihydroxy-2-(2-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 6-O-(6-deoxyhexopyranosyl)hexopyranoside

Chemical Property of 5,7-Dihydroxy-2-(2-hydroxyphenyl)-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one

Chemical Property:

• Melting Point: 190～193℃
• Boiling Point: 929°Cat760mmHg
• Flash Point: 308.6°C
• PSA: 249.20000
• Density: 1.76g/cm³
• LogP: -1.39270
• XLogP3: -0.9
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 6
• Exact Mass: 594.15847025
• Heavy Atom Count: 42
• Complexity: 993

Purity/Quality:

98% ^*data from raw suppliers

Datiscin ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=CC=C5O)O)O)O)O)O)O