Schumanniofioside A

Base Information

• Chemical Name: Schumanniofioside A
• CAS No.: 128396-15-6
• Molecular Formula: C16H18O9
• Molecular Weight: 354.314
• DSSTox Substance ID: DTXSID10155873
• Nikkaji Number: J2.535.334J
• Wikidata: Q83023861
• Metabolomics Workbench ID: 143903
• Mol file: 128396-15-6.mol

Synonyms:2-methyl-5,7-dihydroxychromone 5-O-beta-glycopyranoside;schumanniofioside A

Chemical Property of Schumanniofioside A

Chemical Property:

• Vapor Pressure: 2.5E-20mmHg at 25°C
• Boiling Point: 695.9°C at 760 mmHg
• Flash Point: 258.7°C
• PSA: 149.82000
• Density: 1.606g/cm³
• LogP: -1.01430
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 3
• Exact Mass: 354.09508215
• Heavy Atom Count: 25
• Complexity: 536

Purity/Quality:

Schumanniofioside A ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=O)C2=C(O1)C=C(C=C2OC3C(C(C(C(O3)CO)O)O)O)O
• Isomeric SMILES: CC1=CC(=O)C2=C(O1)C=C(C=C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O