beta-D-Xylopyranoside, 5-methyl-1H-1,2,4-triazol-3-yl 1-thio-, 2,3,4-triacetate

Base Information

• Chemical Name: beta-D-Xylopyranoside, 5-methyl-1H-1,2,4-triazol-3-yl 1-thio-, 2,3,4-triacetate
• CAS No.: 116509-51-4
• Molecular Formula: C14H19 N3 O7 S
• Molecular Weight: 373.3816
• DSSTox Substance ID: DTXSID20151407
• Wikidata: Q76280495
• Mol file: 116509-51-4.mol

Synonyms:5-Methyl-1H-1,2,4-triazol-3-yl 1-thio-beta-D-xylopyranoside 2,3,4-triacetate;beta-D-Xylopyranoside, 5-methyl-1H-1,2,4-triazol-3-yl 1-thio-, 2,3,4-triacetate;116509-51-4;C14H19N3O7S;DTXSID20151407;C14-H19-N3-O7-S;LS-162675

Chemical Property of beta-D-Xylopyranoside, 5-methyl-1H-1,2,4-triazol-3-yl 1-thio-, 2,3,4-triacetate

Chemical Property:

• Vapor Pressure: 6.1E-11mmHg at 25°C
• Boiling Point: 520.7°Cat760mmHg
• Flash Point: 268.7°C
• Density: 1.41g/cm³
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 8
• Exact Mass: 373.09437113
• Heavy Atom Count: 25
• Complexity: 521

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC(=NN1)SC2C(C(C(CO2)OC(=O)C)OC(=O)C)OC(=O)C
• Isomeric SMILES: CC1=NC(=NN1)S[C@H]2[C@@H]([C@H]([C@@H](CO2)OC(=O)C)OC(=O)C)OC(=O)C