[3,4,5-Trihydroxy-6-[2-(hydroxymethyl)phenoxy]oxan-2-yl]methyl benzoate

Base Information

• Chemical Name: [3,4,5-Trihydroxy-6-[2-(hydroxymethyl)phenoxy]oxan-2-yl]methyl benzoate
• CAS No.: 99-17-2
• Molecular Formula: C20H22 O8
• Molecular Weight: 390.39
• NSC Number: 128308
• DSSTox Substance ID: DTXSID30871583
• Wikidata: Q105028553
• Mol file: 99-17-2.mol

Synonyms:[3,4,5-trihydroxy-6-[2-(hydroxymethyl)phenoxy]oxan-2-yl]methyl benzoate;NSC-128308;Salicin, 6-benzoate;SCHEMBL2534984;DTXSID30871583;NSC 128308;Populoside;Salicin 6-benzoate;Salicin 6'-benzoate;Salicin benzoate;NSC128308;.beta.-D-Glucopyranoside, 6-benzoate;PD163463;2-(hydroxymethyl)phenyl 6-O-benzoylhexopyranoside

Chemical Property of [3,4,5-Trihydroxy-6-[2-(hydroxymethyl)phenoxy]oxan-2-yl]methyl benzoate

Chemical Property:

• Vapor Pressure: 7.67E-16mmHg at 25°C
• Melting Point: 180°C
• Refractive Index: 1.4430 (estimate)
• Boiling Point: 612.2°Cat760mmHg
• PKA: 12.74±0.70(Predicted)
• Flash Point: 217.2°C
• PSA: 125.68000
• Density: 1.419g/cm³
• LogP: 0.22230
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 390.13146766
• Heavy Atom Count: 28
• Complexity: 495

Purity/Quality:

99%min ^*data from raw suppliers

Populin ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)OCC2C(C(C(C(O2)OC3=CC=CC=C3CO)O)O)O