Tri-O-acetyl-D-glucal - ≥98% , CAS No.2873-29-2

CAS: 2873-29-2 Cat. No.: T107427 Molecular Weight: 272.25 Beilstein Registry Number: 90781 EC Number: 220-709-0 PubChem CID: 688303

GRADE & PURITY ≥98%

Synonyms

AKOS015924784 | SCHEMBL62522 | [(2R,3S,4R)-3,4-diacetoxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate;Tri-O-acetyl-D-glucal | 3,4,6-tri-O-Acetyl-D-glucal | A819567 | EN300-311981 | AKOS015919129 | HY-34628 | arabino-Hex-1-enitol, 1,5-anhydro-2-deoxy-, triacet

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Synonyms

AKOS015924784 | SCHEMBL62522 | [(2R, 3S, 4R)-3, 4-diacetoxy-3, 4-dihydro-2H-pyran-2-yl]methyl acetate;Tri-O-acetyl-D-glucal | 3, 4, 6-tri-O-Acetyl-D-glucal | A819567 | EN300-311981 | AKOS015919129 | HY-34628 | arabino-Hex-1-enitol, 1, 5-anhydro-2-deoxy-, triacet

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Protected from light

Shipped In

Wet ice

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

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504759875
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759875
• Canonical Smiles: CC(=O)OCC1C(C(C=CO1)OC(=O)C)OC(=O)C
• IUPAC Name: [(2R,3S,4R)-3,4-diacetyloxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate
• InChIKey: LLPWGHLVUPBSLP-UTUOFQBUSA-N
• INCHI: 1S/C12H16O7/c1-7(13)17-6-11-12(19-9(3)15)10(4-5-16-11)18-8(2)14/h4-5,10-12H,6H2,1-3H3/t10-,11-,12+/m1/s1
• Isomeric SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H](C=CO1)OC(=O)C)OC(=O)C
• WGK Germany: 3
• PubChem CID: 688303
• Molecular Weight: 272.25
• Beilstein: 90781
• Reaxy-Rn: 90781

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Tricarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Tricarboxylic acids and derivatives
• Alternative Parents: Carboxylic acid esters Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Tricarboxylic acid or derivatives - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three 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

• Solubility: Soluble in chloroform and ethanol. Insoluble in water.
• Sensitivity: Heat sensitive，Moisture sensitive，Light sensitive
• Specific Rotation[α]: -15° (C=2,EtOH)
• Flash Point(°F): >235.4 °F
• Flash Point(°C): >113 °C
• Melt Point(°C): 51-53°C
• Molecular Weight: 272.250 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 272.09 Da
• Monoisotopic Mass: 272.09 Da
• Topological Polar Surface Area: 88.100 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 388.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• 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