1，3，4，6-Tetra-O-acetyl-2-amino-2-deoxy-β -D-glucopyranose Hydrochloride - ≥97% , CAS No.10034-20-5

CAS: 10034-20-5 Cat. No.: T132336 Molecular Weight: 383.78 PubChem CID: 202259

GRADE & PURITY ≥97%

Synonyms

beta-D-Glucopyranose, 2-amino-2-deoxy-, 1,3,4,6-tetraacetate, hydrochloride | SCHEMBL1898600 | 1,3,4,6-tetra-o-acetyl-a-d-glucosaminehci | (2S,3R,4R,5S,6R)-6-(acetoxymethyl)-3-amino-tetrahydro-2H-pyran-2,4,5-triyl triacetate hydrochloride | (2S,3R,4R,5S,6

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

beta-D-Glucopyranose, 2-amino-2-deoxy-, 1, 3, 4, 6-tetraacetate, hydrochloride | SCHEMBL1898600 | 1, 3, 4, 6-tetra-o-acetyl-a-d-glucosaminehci | (2S, 3R, 4R, 5S, 6R)-6-(acetoxymethyl)-3-amino-tetrahydro-2H-pyran-2, 4, 5-triyl triacetate hydrochloride | (2S, 3R, 4R, 5S, 6

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Argon charged

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: 504757818
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757818
• Canonical Smiles: CC(=O)OCC1C(C(C(C(O1)OC(=O)C)N)OC(=O)C)OC(=O)C.Cl
• IUPAC Name: [(2R,3S,4R,5R,6S)-3,4,6-triacetyloxy-5-aminooxan-2-yl]methyl acetate;hydrochloride
• InChIKey: BQLUYAHMYOLHBX-XAWYEFCRSA-N
• INCHI: 1S/C14H21NO9.ClH/c1-6(16)20-5-10-12(21-7(2)17)13(22-8(3)18)11(15)14(24-10)23-9(4)19;/h10-14H,5,15H2,1-4H3;1H/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)N)OC(=O)C)OC(=O)C.Cl
• WGK Germany: 3
• PubChem CID: 202259
• Molecular Weight: 383.78

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Aminosaccharides
          • Level6 Aminoglycosides

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Aminosaccharides
• Direct Parent: Aminoglycosides
• Alternative Parents: Tetracarboxylic acids and derivatives Oxanes Monosaccharides Carboxylic acid esters Amino acids and derivatives Oxacyclic compounds Acetals Organopnictogen compounds Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Aminoglycoside core - Tetracarboxylic acid or derivatives - Oxane - Monosaccharide - Carboxylic acid ester - Amino acid or derivatives - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Acetal - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Hydrochloride - Primary amine - Organonitrogen compound - Primary aliphatic amine - Carbonyl group - Amine - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aminoglycosides. These are molecules or a portion of a molecule composed of amino-modified sugars.
• 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 water at 10mg/ml
• Molecular Weight: 383.780 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 9
• Exact Mass: 383.098 Da
• Monoisotopic Mass: 383.098 Da
• Topological Polar Surface Area: 140.000 Ų
• Heavy Atom Count: 25
• 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: 2

XLogP3

References

1. Gao Minghong, Li Juan, Bao Zixian, Hu Moudong, Nian Rui, Feng Dexin, An Dong, Li Xing, Xian Mo, Zhang Haibo.  (2019)  A natural in situ fabrication method of functional bacterial cellulose using a microorganism.  Nature Communications,  10  (1): (1-10).  [PMID:30683871] [10.1038/s41467-018-07879-3]