Carlinoside

Base Information

• Chemical Name: Carlinoside
• CAS No.: 59952-97-5
• Deprecated CAS: 59796-63-3
• Molecular Formula: C26H28O15
• Molecular Weight: 580.4915
• DSSTox Substance ID: DTXSID60208666
• Nikkaji Number: J1.319.352E
• Wikidata: Q27106068
• Metabolomics Workbench ID: 69376
• Mol file: 59952-97-5.mol

Synonyms:carlinoside

Chemical Property of Carlinoside

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.778
• Boiling Point: 978.2 °C at 760 mmHg
• PKA: 5.67±0.40(Predicted)
• Flash Point: 327.5 °C
• PSA: 280.43000
• Density: 1.825 g/cm³
• LogP: -2.38490
• XLogP3: -2.5
• Hydrogen Bond Donor Count: 11
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 4
• Exact Mass: 580.14282018
• Heavy Atom Count: 41
• Complexity: 979

Purity/Quality:

98%Min ^*data from raw suppliers

Carlinoside ^*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=C3C(=C(C(=C2O)C4C(C(C(C(O4)CO)O)O)O)O)C(=O)C=C(O3)C5=CC(=C(C=C5)O)O)O)O)O
• Isomeric SMILES: C1[C@@H]([C@@H]([C@H]([C@@H](O1)C2=C3C(=C(C(=C2O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)C(=O)C=C(O3)C5=CC(=C(C=C5)O)O)O)O)O