beta-D-Galactopyranoside, 4-phenyl-5-(4-pyridinyl)4H-1,2,4-triazol-3-yl 1-thio-, 2,3,4,6-tetraacetate, monohydrochloride

Base Information

• Chemical Name: beta-D-Galactopyranoside, 4-phenyl-5-(4-pyridinyl)4H-1,2,4-triazol-3-yl 1-thio-, 2,3,4,6-tetraacetate, monohydrochloride
• CAS No.: 116509-61-6
• Molecular Formula: C27H28 N4 O9 S . Cl H
• Molecular Weight: 621.0586
• DSSTox Substance ID: DTXSID30151413
• Mol file: 116509-61-6.mol

Synonyms:116509-61-6;beta-D-Galactopyranoside, 4-phenyl-5-(4-pyridinyl)4H-1,2,4-triazol-3-yl 1-thio-, 2,3,4,6-tetraacetate, monohydrochloride;C27H28N4O9S.ClH;DTXSID30151413;C27-H28-N4-O9-S.Cl-H;LS-71013

Chemical Property of beta-D-Galactopyranoside, 4-phenyl-5-(4-pyridinyl)4H-1,2,4-triazol-3-yl 1-thio-, 2,3,4,6-tetraacetate, monohydrochloride

Chemical Property:

• Vapor Pressure: 1.65E-20mmHg at 25°C
• Boiling Point: 718.8°Cat760mmHg
• Flash Point: 388.5°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 13
• Exact Mass: 620.1343774
• Heavy Atom Count: 42
• Complexity: 931

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OCC1C(C(C(C(O1)SC2=NN=C(N2C3=CC=CC=C3)C4=CC=NC=C4)OC(=O)C)OC(=O)C)OC(=O)C.Cl
• Isomeric SMILES: CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)SC2=NN=C(N2C3=CC=CC=C3)C4=CC=NC=C4)OC(=O)C)OC(=O)C)OC(=O)C.Cl