1,2,3,4,6-Penta-O-acetyl-α-D-mannopyranose - ≥98% , CAS No.4163-65-9

CAS: 4163-65-9 Cat. No.: P292266 Molecular Weight: 390.35 EC Number: 609-945-9

GRADE & PURITY ≥98%

Synonyms

1,2,3,4,6-Penta-O-acetyl-alpha-D-mannopyranose | DTXSID301313184 | 1,2,3,4,6-Penta-O-acetyl-a-D-mannopyranose | AKOS015919016 | (2R,3S,4S,5R,6R)-6-(acetoxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetrayl tetraacetate | LPTITAGPBXDDGR-OWYFMNJBSA-N | alpha-d-Mann

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

1, 2, 3, 4, 6-Penta-O-acetyl-alpha-D-mannopyranose | DTXSID301313184 | 1, 2, 3, 4, 6-Penta-O-acetyl-a-D-mannopyranose | AKOS015919016 | (2R, 3S, 4S, 5R, 6R)-6-(acetoxymethyl)tetrahydro-2H-pyran-2, 3, 4, 5-tetrayl tetraacetate | LPTITAGPBXDDGR-OWYFMNJBSA-N | alpha-d-Mann

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: 504766693
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766693
• Canonical Smiles: CC(=O)OCC1C(C(C(C(O1)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
• IUPAC Name: [(2R,3R,4S,5S,6R)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate
• InChIKey: LPTITAGPBXDDGR-OWYFMNJBSA-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
• Molecular Weight: 390.35
• 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 chloroform
• Sensitivity: light sensitive
• 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. Xingyou Wang, Xiaoqing Sun, Jiahui Lei, Linsen Li, Nanhang Zhu, Yue Yu, Yating Zeng, Ke Kang, QiangYing Yi, Yao Wu.  (2024)  Bioinspired zwitterionic lysine glycopolymers: Enhancing wound repair through microenvironment modulation for bacterial elimination and optimal immunoregulation.  Nano Today,      [PMID:] [10.1016/j.nantod.2024.102354]