α-D(+)-Glucose pentaacetate - ≥98% , CAS No.604-68-2

CAS: 604-68-2 Cat. No.: P118302 Fórmula: C₁₆H₂₂O₁₁ Peso molecular: 390.34 Beilstein Registry Number: 98852 Número CE: 210-073-2

GRADE & PURITY ≥98%

Synonyms

Q27252242 | SCHEMBL156529 | 1,2,3,4,6-PENTA-O-ACETYL-.ALPHA.-D-GLUCOPYRANOSE | alpha-D-Glucopyranose pentaacetate | DTXSID10883462 | alpha-D-Glucopyranose, pentaacetate | FEMA NO. 2524, .ALPHA.- | (2R,3R,4S,5R,6R)-6-(Acetoxymethyl)tetrahydro-2H-pyran-2,3,

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

Q27252242 | SCHEMBL156529 | 1,2,3,4,6-PENTA-O-ACETYL-.ALPHA.-D-GLUCOPYRANOSE | alpha-D-Glucopyranose pentaacetate | DTXSID10883462 | alpha-D-Glucopyranose, pentaacetate | FEMA NO. 2524, .ALPHA.- | (2R,3R,4S,5R,6R)-6-(Acetoxymethyl)tetrahydro-2H-pyran-2,3,

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

488192167

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488192167

Sorrisos canónicos

CC(=O)OCC1C(C(C(C(O1)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

IUPAC Name

[(2R,3R,4S,5R,6R)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate

InChIKey

LPTITAGPBXDDGR-LJIZCISZSA-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

SMILES isoméricas

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 Alemanha

3

Peso molecular

390.34

Beilstein

98852

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
    • Classe Carboxylic acids and derivatives
      • Subclass Pentacarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: 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
• Descrição: 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

Mecanismos de ação

Propriedades químicas e físicas

• Rotação específica [α]: 105.5 ° (C=1.5, MeOH)
• Ponto de fusão (°C): 113°C
• Peso molecular: 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