2,3,4,6-Tetra-O-acetyl-α-D-mannopyranosyl Fluoride - ≥98% , CAS No.2823-44-1

CAS: 2823-44-1 Cat. No.: T292280 Molecular Weight: 350.294

GRADE & PURITY ≥98%

Synonyms

MFCD00792706 | Tetra-O-acetyl--D-mannopyranosyl fluoride | 2,3,4,6-TETRA-O-ACETYL-ALPHA-D-MANNOPYRANOSYLFLUORIDE | [(2R,3R,4S,5S,6R)-3,4,5-TRIS(ACETYLOXY)-6-FLUOROOXAN-2-YL]METHYL ACETATE | Acetofluoro- alpha -D-mannose | AC8160 | (2R,3R,4S,5S,6R)-2-(Acet

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

MFCD00792706 | Tetra-O-acetyl--D-mannopyranosyl fluoride | 2, 3, 4, 6-TETRA-O-ACETYL-ALPHA-D-MANNOPYRANOSYLFLUORIDE | [(2R, 3R, 4S, 5S, 6R)-3, 4, 5-TRIS(ACETYLOXY)-6-FLUOROOXAN-2-YL]METHYL ACETATE | Acetofluoro- alpha -D-mannose | AC8160 | (2R, 3R, 4S, 5S, 6R)-2-(Acet

Specifications & Purity

≥98%

Storage

Store at -20°C

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: 504766227
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766227
• Canonical Smiles: CC(=O)OCC1C(C(C(C(O1)F)OC(=O)C)OC(=O)C)OC(=O)C
• IUPAC Name: [(2R,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-fluorooxan-2-yl]methyl acetate
• InChIKey: JJXATNWYELAACC-DGTMBMJNSA-N
• INCHI: 1S/C14H19FO9/c1-6(16)20-5-10-11(21-7(2)17)12(22-8(3)18)13(14(15)24-10)23-9(4)19/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)F)OC(=O)C)OC(=O)C)OC(=O)C
• Molecular Weight: 350.294
• Reaxy-Rn: 41437660
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=41437660&ln=

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: Oxanes Monosaccharides Carboxylic acid esters Oxacyclic compounds Dialkyl ethers Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Tetracarboxylic acid or derivatives - Monosaccharide - Oxane - Carboxylic acid ester - Dialkyl ether - Ether - Oxacycle - Organoheterocyclic compound - Organofluoride - Organohalogen compound - Organic oxide - Alkyl fluoride - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Alkyl halide - Carbonyl group - 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

• Refractive Index: 1.464
• Flash Point(°C): 174.3ºC
• Molecular Weight: 350.290 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 9
• Exact Mass: 350.101 Da
• Monoisotopic Mass: 350.101 Da
• Topological Polar Surface Area: 114.000 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 506.000
• 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