Stachyose Hydrate - ≥80% , CAS No.54261-98-2

CAS: 54261-98-2 Cat. No.: S493052 Fórmula: C₂₄H₄₂O₂₁·xH₂O Peso molecular: 666.58(as Anhydrous) Beilstein Registry Number: 5710666 Número CE: 207-427-3

GRADE & PURITY ≥80%

Synonyms

β-D-Fructofuranosyl O-α-D-Galactopyranosyl-(1-6)-O-α-D-galactopyranosyl-(1-6)-α-D-glucopyranoside Hydrate | Lupeose Hydrate | Manneotetrose Hydrate

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

β-D-Fructofuranosyl O-α-D-Galactopyranosyl-(1-6)-O-α-D-galactopyranosyl-(1-6)-α-D-glucopyranoside Hydrate | Lupeose Hydrate | Manneotetrose Hydrate

Especificações e pureza

≥80%

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥80%

Nomes e identificadores

Pubchem Sid

528772827

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528772827

Sorrisos canónicos

O.OC[C@H]1O[C@H](OC[C@H]2O[C@H](OC[C@H]3O[C@H](O[C@]4(CO)O[C@H](CO)[C@@H](O)[C@@H]4O)[C@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O

IUPAC Name

2-[[6-[[6-[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

InChIKey

UQZIYBXSHAGNOE-UHFFFAOYSA-N

INCHI

1S/C24H42O21/c25-1-6-10(28)14(32)17(35)21(41-6)39-3-8-11(29)15(33)18(36)22(42-8)40-4-9-12(30)16(34)19(37)23(43-9)45-24(5-27)20(38)13(31)7(2-26)44-24/h6-23,25-38H,1-5H2

SMILES isoméricas

C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)OCC3C(C(C(C(O3)OC4(C(C(C(O4)CO)O)O)CO)O)O)O)O)O)O)O)O)O)O

WGK Alemanha

3

CAS alternativo

10094-58-3

Peso molecular

666.58(as Anhydrous)

Beilstein

5710666

Reaxy-Rn

5710666

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Oligosaccharides
• Alternative Parents: O-glycosyl compounds C-glycosyl compounds Ketals Oxanes Tetrahydrofurans Secondary alcohols Polyols Oxacyclic compounds Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Oligosaccharide - C-glycosyl compound - Glycosyl compound - O-glycosyl compound - Ketal - Oxane - Tetrahydrofuran - Secondary alcohol - Acetal - Oxacycle - Organoheterocyclic compound - Polyol - Alcohol - Primary alcohol - Hydrocarbon derivative - Aliphatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as oligosaccharides. These are carbohydrates made up of 3 to 10 monosaccharide units linked to each other through glycosidic bonds.
• External Descriptors: a tetrasaccharide

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

Propriedades químicas e físicas

• Solubilidade: Solubility in Water almost transparency
• Rotação específica [α]: +131 to +135 deg(C=5, H2O)
• Ponto de fusão (°C): 110 °C
• Peso molecular: 666.600 g/mol
• XLogP3: -8.000
• Hydrogen Bond Donor Count: 14
• Hydrogen Bond Acceptor Count: 21
• Rotatable Bond Count: 11
• Exact Mass: 666.222 Da
• Monoisotopic Mass: 666.222 Da
• Topological Polar Surface Area: 348.000 Ų
• Heavy Atom Count: 45
• Formal Charge: 0
• Complexity: 933.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 19
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1