beta-D-Xylopyranoside, 4-phenyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl 1-thio-, 2,3,4-triacetate

Base Information

• Chemical Name: beta-D-Xylopyranoside, 4-phenyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl 1-thio-, 2,3,4-triacetate
• CAS No.: 116509-53-6
• Molecular Formula: C24H24 N4 O7 S
• Molecular Weight: 512.535
• DSSTox Substance ID: DTXSID40151409
• Wikidata: Q76280503
• Mol file: 116509-53-6.mol

Synonyms:4-Phenyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl 1-thio-beta-D-xylopyranoside;beta-D-Xylopyranoside, 4-phenyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl 1-thio-, 2,3,4-triacetate;116509-53-6;C24H24N4O7S;DTXSID40151409;C24-H24-N4-O7-S;LS-162683

Chemical Property of beta-D-Xylopyranoside, 4-phenyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl 1-thio-, 2,3,4-triacetate

Chemical Property:

• Vapor Pressure: 6.59E-18mmHg at 25°C
• Boiling Point: 671.8°Cat760mmHg
• Flash Point: 360.1°C
• Density: 1.42g/cm³
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 10
• Exact Mass: 512.13657029
• Heavy Atom Count: 36
• Complexity: 778

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)SC2=NN=C(N2C3=CC=CC=C3)C4=CC=NC=C4
• Isomeric SMILES: CC(=O)O[C@@H]1CO[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)SC2=NN=C(N2C3=CC=CC=C3)C4=CC=NC=C4