D-(+)-Melibiose Monohydrate - ≥99% , CAS No.66009-10-7

CAS: 66009-10-7 Cat. No.: M106308 Fórmula: C₁₂H₂₄O₁₂ Peso molecular: 360.31 PubChem CID: 71308738

GRADE & PURITY ≥99%

Synonyms

α-D-Melibiose hydrate | 6-O-α-D-Galactopyranosyl-D-glucopyranose Monohydrate,Melibiose,a-D-(+)-Melibiose

Storage

Protected from light,Room temperature

Shipped In

Normal

Descripción general

Melibiose is a carbon substrate.
Melibiose has been used in a study to improve the preparation of benzoylated ethyl 1-thioglycosides.It has also been used in a study to investigate the effect of water plasticization on the molecular mobility and crystallization tendency of amorphous disaccharides.

Specifications

Sinónimos

α-D-Melibiose hydrate | 6-O-α-D-Galactopyranosyl-D-glucopyranose Monohydrate,Melibiose,a-D-(+)-Melibiose

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Protected from light,Room temperature

Enviado en

Normal

Pureza

≥99%

Nombres e identificadores

• Pubchem Sid: 504772035
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504772035
• Sonrisas canónicas: C(C1C(C(C(C(O1)OCC(C(C(C(C=O)O)O)O)O)O)O)O)O.O
• IUPAC Name: (2R,3S,4R,5R)-2,3,4,5-tetrahydroxy-6-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanal;hydrate
• InChIKey: CHIDEFLSUMQFBY-CQIZOMOZSA-N
• INCHI: 1S/C12H22O11.H2O/c13-1-4(15)7(17)8(18)5(16)3-22-12-11(21)10(20)9(19)6(2-14)23-12;/h1,4-12,14-21H,2-3H2;1H2/t4-,5+,6+,7+,8+,9-,10-,11+,12-;/m0./s1
• Isómeros SMILES: C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC[C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)O)O)O)O.O
• CAS alternativo: 585-99-9
• PubChem CID: 71308738
• Peso molecular: 360.31

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Fatty Acyls
      • Subclass Fatty acyl glycosides

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Fatty Acyls
• Subclass: Fatty acyl glycosides
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty acyl glycosides of mono- and disaccharides
• Alternative Parents: Hexoses Alkyl glycosides O-glycosyl compounds Oxanes Beta-hydroxy aldehydes Alpha-hydroxyaldehydes Secondary alcohols Polyols Oxacyclic compounds Acetals Primary alcohols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Fatty acyl glycoside of mono- or disaccharide - Alkyl glycoside - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Beta-hydroxy aldehyde - Monosaccharide - Oxane - Alpha-hydroxyaldehyde - Secondary alcohol - Polyol - Organoheterocyclic compound - Oxacycle - Acetal - Aldehyde - Organooxygen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Primary alcohol - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as fatty acyl glycosides of mono- and disaccharides. These are compounds composed of a mono- or disaccharide moiety linked to one hydroxyl group of a fatty alcohol or of a phosphorylated alcohol (phosphoprenols), a hydroxy fatty acid or to one carboxyl group of a fatty acid (ester linkage) or to an amino alcohol.
• 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 water at 100mg/ml
• Sensibilidad: Moisture and light sensitive
• Rotación específica [α]: 136° (C=4,H2O)
• Punto de fusión (°C): 185 °C(dec.)
• Peso molecular: 360.310 g/mol
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 8
• Exact Mass: 360.127 Da
• Monoisotopic Mass: 360.127 Da
• Topological Polar Surface Area: 198.000 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 367.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 9
• 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: 2

XLogP3

Referencias

1. HuaYang Si, Yimeng Chen, Jie Yang, Xiaodong Wen.  (2023)  Characterization and comparison of polysaccharides from Achyranthes bidentata, Cyathula officinalis and Achyranthes aspera by saccharides mapping.  JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS,      [PMID:36739718] [10.1016/j.jpba.2023.115272]

2. Zheng Jiang, Hong Wang, Miao Yu, Cheng Qu, Wei Yue, Qinan Wu.  (2023)  A low-cost efficient online derivatization system for the determination of saccharides by high-performance liquid chromatograph-ultraviolet detector.  JOURNAL OF SEPARATION SCIENCE,  46  (20): (2300384).  [PMID:37691057] [10.1002/jssc.202300384]