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

CAS: 4163-60-4 Cat. No.: G107890 Fórmula: C₁₆H₂₂O₁₁ Peso molecular: 390.34 Beilstein Registry Number: 98853 Número EC: 224-008-0

CALIDAD & PUREZA ≥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

Room temperature,Argon charged

Shipped In

Normal

Descripción general

It is used as a pharmaceutical intermediates

Especificaciones

Sinónimos

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

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature,Argon charged

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

488186855

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488186855

Sonrisas canónicas

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

Isómeros 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 Alemania

1

Peso molecular

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
    • Clase Carboxylic acids and derivatives
      • Subclass Pentacarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Soluble in methanol (50 mg/ml), chloroform, and water.
• Sensibilidad: Hygroscopic
• Rotación específica [α]: 23.5 ° (C=2, MeOH)
• Punto de fusión (°C): 143-144°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