Sarmentosin

Base Information

• Chemical Name: Sarmentosin
• CAS No.: 71933-54-5
• Molecular Formula: C11H17NO7
• Molecular Weight: 275.26
• DSSTox Substance ID: DTXSID601318121
• Metabolomics Workbench ID: 70144
• Wikidata: Q27108224
• Mol file: 71933-54-5.mol

Synonyms:sarmentosine

Chemical Property of Sarmentosin

Chemical Property:

• Vapor Pressure: 4.5E-18mmHg at 25°C
• Refractive Index: 1.593
• Boiling Point: 621.9 °C at 760 mmHg
• PKA: 12.81±0.70(Predicted)
• Flash Point: 329.9 °C
• PSA: 143.40000
• Density: 1.51 g/cm³
• LogP: -2.75482
• XLogP3: -3.1
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 275.10050188
• Heavy Atom Count: 19
• Complexity: 363

Purity/Quality:

≥98% ^*data from raw suppliers

Sarmentosin 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C=C(CO)C#N)OC1C(C(C(C(O1)CO)O)O)O
• Isomeric SMILES: C(/C=C(/CO)\C#N)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O