Phenyl 2,4,6-tri-O-benzyl-3-O-prop-2-en-1-yl-1-thio-alpha-L-allopyranoside

Base Information

• Chemical Name: Phenyl 2,4,6-tri-O-benzyl-3-O-prop-2-en-1-yl-1-thio-alpha-L-allopyranoside
• CAS No.: 1017587-57-3
• Molecular Formula: C36H38O5S
• Molecular Weight: 582.761
• DSSTox Substance ID: DTXSID50693683
• Mol file: 1017587-57-3.mol

Synonyms:Gal[246Bn,3All]-beta-SPh;DTXSID50693683;MFCD11112183;P1660;Phenyl 2,4,6-tri-O-benzyl-3-O-prop-2-en-1-yl-1-thio-alpha-L-allopyranoside

Chemical Property of Phenyl 2,4,6-tri-O-benzyl-3-O-prop-2-en-1-yl-1-thio-alpha-L-allopyranoside

Chemical Property:

• PSA: 71.45000
• LogP: 7.46240
• XLogP3: 7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 15
• Exact Mass: 582.24399548
• Heavy Atom Count: 42
• Complexity: 726

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCOC1C(C(OC(C1OCC2=CC=CC=C2)SC3=CC=CC=C3)COCC4=CC=CC=C4)OCC5=CC=CC=C5
• Isomeric SMILES: C=CCO[C@H]1[C@H]([C@@H](O[C@H]([C@H]1OCC2=CC=CC=C2)SC3=CC=CC=C3)COCC4=CC=CC=C4)OCC5=CC=CC=C5