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

CAS: 66009-10-7 Cat. No.: M106308 Formula: C₁₂H₂₄O₁₂ Molecular Weight: 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

Overview

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

Synonyms

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

Specifications & Purity

≥99%

Storage

Protected from light,Room temperature

Shipped In

Normal

Purity

≥99%

Names and Identifiers

Pubchem Sid

504772035

Pubchem Sid Url

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

Canonical Smiles

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

Isomeric 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

Alternate CAS

585-99-9

PubChem CID

71308738

Molecular Weight

360.31

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: 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
• Description: 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

Chemical and Physical Properties

• Solubility: Soluble in water at 100mg/ml
• Sensitivity: Moisture and light sensitive
• x_specific_rotation: 136° (C=4,H2O)
• x_melt_point_char: 185 °C(dec.)
• Molecular Weight: 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