5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3-[(3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one

Base Information

• Chemical Name: 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3-[(3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one
• CAS No.: 61328-41-4
• Molecular Formula: C26H28O14
• Molecular Weight: 564.4921
• Mol file: 61328-41-4.mol

Synonyms:5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3-[(3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one

Chemical Property of 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3-[(3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.758
• Boiling Point: 957.6 °C at 760 mmHg
• PKA: 5.70±0.40(Predicted)
• Flash Point: 321.8 °C
• PSA: 250.97000
• Density: 1.783 g/cm³
• LogP: -1.75430
• XLogP3: -2.2
• Hydrogen Bond Donor Count: 10
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 4
• Exact Mass: 564.14790556
• Heavy Atom Count: 40
• Complexity: 952

Purity/Quality:

98%Min ^*data from raw suppliers

Neoschaftoside ≥98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(C(C(C(O1)C2=C(OC3=C(C2=O)C(=C(C(=C3)O)C4C(C(C(C(O4)CO)O)O)O)O)C5=CC=C(C=C5)O)O)O)O
• Isomeric SMILES: C1[C@@H]([C@@H]([C@H](C(O1)C2=C(OC3=C(C2=O)C(=C(C(=C3)O)[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)C5=CC=C(C=C5)O)O)O)O
• Uses: Neoschaftoside is used in method and system for extraction of Neoschaftoside from Desmodium Styracifolium.