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

CAS: 92051-23-5 Cat. No.: T111864 Summenformel: C₁₅H₁₉F₃O₁₂S Molekulargewicht: 480.36 Beilstein Registry Number: 4341413 EG-Nummer: 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

Lagerung bei -20°C, Argon geladen

Shipped In

Eistruhe + Eispads

Specifications

Synonyme

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

Spezifikationen & Reinheit

≥98%

Storage

Lagerung bei -20°C, Argon geladen

Verschickt in

Eistruhe + Eispads

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 504766021
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766021
• Kanonisches Lächeln: 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
• Isomere 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 Deutschland: 3
• PubChem CID: 11113597
• Molekulargewicht: 480.36
• Beilstein: 4341413
• Reaxy-Rn: 4341413

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Moisture sensitive；heat sensitive
• Spezifische Drehung [α]: -16 ° (C=1, CH3CN)
• Schmelzpunkt (°C): 116-120°C
• Molekulargewicht: 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