1,3,4,6-Tetra-O-acetyl-β-D-mannopyranose - ≥97% , CAS No.18968-05-3

CAS: 18968-05-3 Cat. No.: T162852 Molecular Weight: 348.3 Beilstein Registry Number: 96634 PubChem CID: 7269409

GRADE & PURITY ≥97%

Synonyms

beta-D-Mannopyranose, 1,3,4,6-tetraacetate | J-640427 | 1,3,4,6-Tetra-O-acetyl-beta-D-mannopyranose, 98% | T1459 | [(2R,3R,4R,5S,6S)-3,4,6-triacetyloxy-5-hydroxyoxan-2-yl]methyl acetate;(2S,3S,4R,5R,6R)-6-(Acetoxymethyl)-3-hydroxytetrahydro-2H-pyran-2,4,5

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

beta-D-Mannopyranose, 1, 3, 4, 6-tetraacetate | J-640427 | 1, 3, 4, 6-Tetra-O-acetyl-beta-D-mannopyranose, 98% | T1459 | [(2R, 3R, 4R, 5S, 6S)-3, 4, 6-triacetyloxy-5-hydroxyoxan-2-yl]methyl acetate;(2S, 3S, 4R, 5R, 6R)-6-(Acetoxymethyl)-3-hydroxytetrahydro-2H-pyran-2, 4, 5

Specifications & Purity

≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504764743
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764743
• Canonical Smiles: CC(=O)OCC1C(C(C(C(O1)OC(=O)C)O)OC(=O)C)OC(=O)C
• IUPAC Name: [(2R,3R,4R,5S,6S)-3,4,6-triacetyloxy-5-hydroxyoxan-2-yl]methyl acetate
• InChIKey: SHBHJRVMGYVXKK-XVIXHAIJSA-N
• INCHI: 1S/C14H20O10/c1-6(15)20-5-10-12(21-7(2)16)13(22-8(3)17)11(19)14(24-10)23-9(4)18/h10-14,19H,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)O)OC(=O)C)OC(=O)C
• WGK Germany: 3
• PubChem CID: 7269409
• Molecular Weight: 348.3
• Beilstein: 96634
• Reaxy-Rn: 96634

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 Secondary alcohols Carboxylic acid esters Oxacyclic compounds Acetals Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Tetracarboxylic acid or derivatives - Oxane - Monosaccharide - Secondary alcohol - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Acetal - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - 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: Hygroscopic,Heat Sensitive
• Specific Rotation[α]: -22.5° (C=1.4,CHCl3)
• Melt Point(°C): 162 °C
• Molecular Weight: 348.300 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 9
• Exact Mass: 348.106 Da
• Monoisotopic Mass: 348.106 Da
• Topological Polar Surface Area: 135.000 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 502.000
• 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