D-(+)-メリビオース一水和物 - ≥99% , CAS No.66009-10-7

CAS: 66009-10-7 Cat. No.: M106308 分子式: C₁₂H₂₄O₁₂ 分子量: 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

ノーマル

概要

メリビオースは炭素基質である。
メリビオースは、ベンゾイル化エチル1-チオグリコシドの調製を改良する研究に使用されている。また、非晶質二糖の分子運動性と結晶化傾向に対する水の可塑化の効果を調べる研究にも使用されている。

Specifications

同義語

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

仕様と純度

≥99%

保管条件

Protected from light,Room temperature

入荷

ノーマル

純度

≥99%

名前と識別子

パブケム・シド

504772035

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504772035

カノニカル・スマイル

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

異性体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

代替CAS番号

585-99-9

PubChem CID

71308738

分子量

360.31

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 溶解度: Soluble in water at 100mg/ml
• 感度: Moisture and light sensitive
• 比旋光度［α］: 136° (C=4,H2O)
• 融点（°C）: 185 °C(dec.)
• 分子量: 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