Mannose triflate - ≥98% , CAS No.92051-23-5

CAS: 92051-23-5 Cat. No.: T111864 Molecular Weight: 480.36 Beilstein Registry Number: 4341413 EC Number: 688-300-3 PubChem CID: 11113597

GRADE & PURITY ≥98%

Synonyms

TATM | 0KI8FFQ6TT | SCHEMBL77858 | AKOS016010527 | 1,3,4,6-TETRA-O-ACETYL-2-(TRIFLUOROMETHYLSULFONYL)-.BETA.-D-MANNOPYRANOSE | 1,3,4,6-Tetra-O-acetyl-2-O-trifluoromethanesulfonyl-b-D-mannopyranose | 1,3,4,6-Tetra-o-acetyl-2-o-trifluoro-methanesulfonyl-bet

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

TATM | 0KI8FFQ6TT | SCHEMBL77858 | AKOS016010527 | 1, 3, 4, 6-TETRA-O-ACETYL-2-(TRIFLUOROMETHYLSULFONYL)-.BETA.-D-MANNOPYRANOSE | 1, 3, 4, 6-Tetra-O-acetyl-2-O-trifluoromethanesulfonyl-b-D-mannopyranose | 1, 3, 4, 6-Tetra-o-acetyl-2-o-trifluoro-methanesulfonyl-bet

Specifications & Purity

≥98%

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504766021
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766021
• Canonical Smiles: CC(=O)OCC1C(C(C(C(O1)OC(=O)C)OS(=O)(=O)C(F)(F)F)OC(=O)C)OC(=O)C
• IUPAC Name: [(2R,3R,4S,5S,6S)-3,4,6-triacetyloxy-5-(trifluoromethylsulfonyloxy)oxan-2-yl]methyl acetate
• InChIKey: OIBDVHSTOUGZTJ-PEBLQZBPSA-N
• INCHI: 1S/C15H19F3O12S/c1-6(19)25-5-10-11(26-7(2)20)12(27-8(3)21)13(14(29-10)28-9(4)22)30-31(23,24)15(16,17)18/h10-14H,5H2,1-4H3/t10-,11-,12+,13+,14-/m1/s1
• Isomeric SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)OC(=O)C)OS(=O)(=O)C(F)(F)F)OC(=O)C)OC(=O)C
• WGK Germany: 3
• PubChem CID: 11113597
• Molecular Weight: 480.36
• Beilstein: 4341413
• Reaxy-Rn: 4341413

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Tetracarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Tetracarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetracarboxylic acids and derivatives
• Alternative Parents: Trifluoromethanesulfonates Sulfonic acid esters Oxanes Organosulfonic acid esters Monosaccharides Sulfonyls Methanesulfonates Trihalomethanes Carboxylic acid esters Oxacyclic compounds Acetals Hydrocarbon derivatives Organic oxides Carbonyl compounds Alkyl fluorides Organofluorides
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Tetracarboxylic acid or derivatives - Trifluoromethanesulfonate - Monosaccharide - Oxane - Sulfonic acid ester - Organosulfonic acid ester - Methanesulfonate - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Trihalomethane - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Acetal - Halomethane - Organosulfur compound - Organooxygen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Organic oxide - Carbonyl group - Alkyl halide - Hydrocarbon derivative - Alkyl fluoride - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as tetracarboxylic acids and derivatives. These are carboxylic acids containing exactly four carboxyl groups.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: Moisture sensitive；heat sensitive
• Specific Rotation[α]: -16 ° (C=1, CH3CN)
• Melt Point(°C): 116-120°C
• Molecular Weight: 480.400 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 11
• Exact Mass: 480.055 Da
• Monoisotopic Mass: 480.055 Da
• Topological Polar Surface Area: 166.000 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 803.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 5
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1