[(3S,5S)-5-(2,4-Difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-YL]methyl 4-methylbenzenesulfonate

Base Information

• Chemical Name: [(3S,5S)-5-(2,4-Difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-YL]methyl 4-methylbenzenesulfonate
• CAS No.: 166583-12-6
• Molecular Formula: C21 H21 F2 N3 O4 S
• Molecular Weight: 449.47
• UNII: Y2X847EL2H
• Mol file: 166583-12-6.mol

Synonyms:166583-12-6;[(3S,5S)-5-(2,4-DIFLUOROPHENYL)-5-(1,2,4-TRIAZOL-1-YLMETHYL)OXOLAN-3-YL]METHYL 4-METHYLBENZENESULFONATE;2,5-Anhydro-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-4-[[[(4-methylphenyl)sulfonyl]oxy]methyl]-1-(1H-1,2,4-triazol-1-yl)-D-erythro-pentitol;D-erythro-Pentitol, 2,5-anhydro-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-4-[[[(4-methylphenyl)sulfonyl]oxy]methyl]-1-(1H-1,2,4-triazol-1-yl)-;149809-43-8;(5R-cis)-Toluene-4-sulfonic acid 5-(2,4-difluorophenyl)-5-(1H-1,2,4-triazol-1-yl)methyltetrahydrofuran-3-ylmethyl ester;Y2X847EL2H;SCHEMBL12186501;(5R-cis)-Toluene-4-sulfonic acid 5-(2,4-difluorophenyl)-5-(1H-1,2,4-triazol-1-yl)methyltetrahydrofuran-3-yl-methyl ester;(5R-cis)-Toluene-4-sulfonic Acid 5-(2,4-Difluorophenyl)-5-[1,2,4]triazol-1-ylmethyltetrahydrofuran-3-ylmethyl Ester;BCP08706;(5R-cis)-Toluene-4-sulfonic Acid 5-(2,4-Difluorophenyl)-5-[1,2,4]triazol- 1-ylmethyltetrahydrofuran-3-ylmethyl Ester;5-((1H-1,2,4-Triazol-1-yl)methyl)-5-(2,4-difluorophenyl)tetrahydrofuran-3-yl)methyl 4-methylbenzenesulfonate, ((3S,5S)-

Chemical Property of [(3S,5S)-5-(2,4-Difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-YL]methyl 4-methylbenzenesulfonate

Chemical Property:

• Boiling Point: 608.1±65.0 °C(Predicted)
• PKA: 2.75±0.10(Predicted)
• PSA: 91.69000
• Density: 1.40±0.1 g/cm3(Predicted)
• LogP: 4.28300
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 449.12208366
• Heavy Atom Count: 31
• Complexity: 701

Purity/Quality:

NLT 98% ^*data from raw suppliers

2,5-Anhydro-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-4-[[[(4-methylphenyl)sulfonyl]oxy]methyl]-1-(1H-1,2,4-triazol-1-yl)-D-erythro-pentitol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCC2CC(OC2)(CN3C=NC=N3)C4=C(C=C(C=C4)F)F
• Isomeric SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC[C@H]2C[C@@](OC2)(CN3C=NC=N3)C4=C(C=C(C=C4)F)F