Bungeiside D

Base Information

• Chemical Name: Bungeiside D
• CAS No.: 149475-54-7
• Molecular Formula: C19H26 O12
• Molecular Weight: 446.4
• DSSTox Substance ID: DTXSID20164279
• Nikkaji Number: J514.471J
• Wikidata: Q83033338
• Metabolomics Workbench ID: 143954
• Mol file: 149475-54-7.mol

Synonyms:4-O-priverosyl-2-hydroxyacetophenone;bungeiside D;bungeiside-D

Chemical Property of Bungeiside D

Chemical Property:

• Vapor Pressure: 2.82E-24mmHg at 25°C
• Boiling Point: 759.9°Cat760mmHg
• PKA: 9?+-.0.10(Predicted)
• Flash Point: 267.8°C
• PSA: 195.60000
• Density: 1.63g/cm³
• LogP: -2.76320
• XLogP3: -2.4
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 6
• Exact Mass: 446.14242626
• Heavy Atom Count: 31
• Complexity: 604

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=C(C=C(C=C1)OC2C(C(C(C(O2)COC3C(C(C(CO3)O)O)O)O)O)O)O
• Isomeric SMILES: CC(=O)C1=C(C=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@H]3[C@@H]([C@H]([C@@H](CO3)O)O)O)O)O)O)O