Neomangiferin

Base Information

• Chemical Name: Neomangiferin
• CAS No.: 64809-67-2
• Deprecated CAS: 220580-55-2
• Molecular Formula: C25H28O16
• Molecular Weight: 584.48
• Hs Code.: 29389090
• European Community (EC) Number: 613-694-0
• DSSTox Substance ID: DTXSID401317610
• Nikkaji Number: J1.029.275A
• Wikidata: Q76393592
• Mol file: 64809-67-2.mol

Synonyms:7-O-beta-D-glucopyranosyl-mangiferin;neomangiferin

Chemical Property of Neomangiferin

Chemical Property:

• Refractive Index: 1.76
• Boiling Point: 1026.377 °C at 760 mmHg
• PKA: 6.10±0.20(Predicted)
• Flash Point: 343.913 °C
• PSA: 280.43000
• Density: 1.839 g/cm³
• LogP: -3.24340
• XLogP3: -2.2
• Hydrogen Bond Donor Count: 11
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 5
• Exact Mass: 584.13773480
• Heavy Atom Count: 41
• Complexity: 924

Purity/Quality:

98% ^*data from raw suppliers

Neomangiferin ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C2C(=CC(=C1OC3C(C(C(C(O3)CO)O)O)O)O)OC4=C(C2=O)C(=C(C(=C4)O)C5C(C(C(C(O5)CO)O)O)O)O
• Isomeric SMILES: C1=C2C(=CC(=C1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)OC4=C(C2=O)C(=C(C(=C4)O)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O
• Uses: Neomangiferin is a xanthone glycoside that can be isolated from the Chinese medicinal herb Rhizoma Anemarrhenae.