beta-D-Galactose Pentaacetate - ≥98% , CAS No.4163-60-4

CAS: 4163-60-4 Cat. No.: G107890 Molecular Weight: 390.34 Beilstein Registry Number: 98853 EC Number: 224-008-0

GRADE & PURITY ≥98%

Synonyms

2,3,4,6-Tetraacetyl-I(2)-acetyl-D-galaktose | SCHEMBL133205 | 2U90CGE5DT | AI3-19585 | b-d-Galactose pentaacetate | DTXSID20883736 | Q63409498 | [(2R,3S,4S,5R,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate | FEMA No. 4593, cis-(+-)- | .beta.-Pentaacet

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

It is used as a pharmaceutical intermediates

Specifications

Synonyms

2, 3, 4, 6-Tetraacetyl-I(2)-acetyl-D-galaktose | SCHEMBL133205 | 2U90CGE5DT | AI3-19585 | b-d-Galactose pentaacetate | DTXSID20883736 | Q63409498 | [(2R, 3S, 4S, 5R, 6S)-3, 4, 5, 6-tetraacetyloxyoxan-2-yl]methyl acetate | FEMA No. 4593, cis-(+-)- | .beta.-Pentaacet

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488186855
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488186855
• Canonical Smiles: CC(=O)OCC1C(C(C(C(O1)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
• IUPAC Name: [(2R,3S,4S,5R,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate
• InChIKey: LPTITAGPBXDDGR-LYYZXLFJSA-N
• INCHI: 1S/C16H22O11/c1-7(17)22-6-12-13(23-8(2)18)14(24-9(3)19)15(25-10(4)20)16(27-12)26-11(5)21/h12-16H,6H2,1-5H3/t12-,13+,14+,15-,16-/m1/s1
• Isomeric SMILES: CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
• WGK Germany: 1
• Molecular Weight: 390.34
• Beilstein: 98853
• Reaxy-Rn: 21510288
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21510288&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Pentacarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pentacarboxylic acids and derivatives
• Alternative Parents: Oxanes Monosaccharides Carboxylic acid esters Oxacyclic compounds Acetals Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Pentacarboxylic acid or derivatives - Oxane - Monosaccharide - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Acetal - 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 pentacarboxylic acids and derivatives. These are carboxylic acids containing exactly five 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 methanol (50 mg/ml), chloroform, and water.
• Sensitivity: Hygroscopic
• Specific Rotation[α]: 23.5 ° (C=2, MeOH)
• Melt Point(°C): 143-144°C
• Molecular Weight: 390.340 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 11
• Exact Mass: 390.116 Da
• Monoisotopic Mass: 390.116 Da
• Topological Polar Surface Area: 141.000 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 599.000
• 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

References

1. Zhuang Ma, Jie Li, Yayun Bai, Yufei Zhang, Haonan Sun, Xinge Zhang.  (2020)  A bacterial infection-microenvironment activated nanoplatform based on spiropyran-conjugated glycoclusters for imaging and eliminating of the biofilm.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2020.125787]

2. Yu Zhao, Zhentan Lu, Xiaomei Dai, Xiaosong Wei, Yunjian Yu, Xuelei Chen, Xinge Zhang, Chaoxing Li.  (2018)  Glycomimetic-Conjugated Photosensitizer for Specific Pseudomonas aeruginosa Recognition and Targeted Photodynamic Therapy.  BIOCONJUGATE CHEMISTRY,      [PMID:30152991] [10.1021/acs.bioconjchem.8b00600]

3. Jinxia An, Qianqian Guo, Peng Zhang, Andrew Sinclair, Yu Zhao, Xinge Zhang, Kan Wu, Fang Sun, Hsiang-Chieh Hung, Chaoxing Li, Shaoyi Jiang.  (2016)  Hierarchical design of a polymeric nanovehicle for efficient tumor regression and imaging.  Nanoscale,  8  (17): (9318-9327).  [PMID:27088429] [10.1039/C6NR01595F]