2-Methyl-2-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxybutanenitrile

Base Information

• Chemical Name: 2-Methyl-2-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxybutanenitrile
• CAS No.: 72229-42-6
• Molecular Formula: C17H29 N O11
• Molecular Weight: 423.417
• Wikidata: Q105309672
• Mol file: 72229-42-6.mol

Synonyms:

Chemical Property of 2-Methyl-2-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxybutanenitrile

Chemical Property:

• Vapor Pressure: 5.17E-23mmHg at 25°C
• Melting Point: 190～192℃
• Boiling Point: 705.6°C at 760 mmHg
• PKA: 12.70±0.70(Predicted)
• Flash Point: 380.5°C
• PSA: 202.32000
• Density: 1.52g/cm³
• LogP: -3.68062
• XLogP3: -3.3
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 7
• Exact Mass: 423.17406074
• Heavy Atom Count: 29
• Complexity: 585

Purity/Quality:

NLT 98% ^*data from raw suppliers

NEOLINUSTATIN 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)(C#N)OC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O