Methyl-β-D-thiogalactosid - ≥98% , CAS No.155-30-6

CAS: 155-30-6 Cat. No.: M120901 Summenformel: C₇H₁₄O₅S Molekulargewicht: 210.25 Beilstein Registry Number: 81583 EG-Nummer: 205-842-4

GRADE & PURITY ≥98%

Synonyms

(2R,3R,4S,5R,6S)-2-(Hydroxymethyl)-6-(methylthio)tetrahydro-2H-pyran-3,4,5-triol | LZFNFLTVAMOOPJ-PZRMXXKTSA-N | Methyl- | DTXSID20883337 | NSC 19048 | B-D-Thiomethylgalactoside | EX-A922 | E84872 | AKOS027430434 | Methyl-1-thio-b-D-galactoside | SCHEMBL2

Storage

Lagerung bei -20°C

Shipped In

Eistruhe + Eispads

Specifications

Synonyme

(2R,3R,4S,5R,6S)-2-(Hydroxymethyl)-6-(methylthio)tetrahydro-2H-pyran-3,4,5-triol | LZFNFLTVAMOOPJ-PZRMXXKTSA-N | Methyl- | DTXSID20883337 | NSC 19048 | B-D-Thiomethylgalactoside | EX-A922 | E84872 | AKOS027430434 | Methyl-1-thio-b-D-galactoside | SCHEMBL2

Spezifikationen & Reinheit

≥98%

Storage

Lagerung bei -20°C

Verschickt in

Eistruhe + Eispads

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

528773425

Kanonisches Lächeln

CSC1C(C(C(C(O1)CO)O)O)O

IUPAC Name

(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-methylsulfanyloxane-3,4,5-triol

InChIKey

LZFNFLTVAMOOPJ-PZRMXXKTSA-N

INCHI

1S/C7H14O5S/c1-13-7-6(11)5(10)4(9)3(2-8)12-7/h3-11H,2H2,1H3/t3-,4+,5+,6-,7+/m1/s1

Isomere SMILES

CS[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O

WGK Deutschland

3

Molekulargewicht

210.25

Beilstein

81583

Reaxy-Rn

25226617

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=25226617&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Ebene5 Glycosyl compounds
          • Ebene6 Thioglycosides

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Glycosyl compounds
• Direct Parent: Thioglycosides
• Alternative Parents: Oxanes Monosaccharides Monothioacetals Secondary alcohols Sulfenyl compounds Polyols Oxacyclic compounds Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: S-glycosyl compound - Oxane - Monosaccharide - Monothioacetal - Secondary alcohol - Oxacycle - Organoheterocyclic compound - Sulfenyl compound - Polyol - Hydrocarbon derivative - Primary alcohol - Organosulfur compound - Alcohol - Aliphatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as thioglycosides. These are glycoside in which a sugar group is bonded through one carbon to another group via a S-glycosidic bond.
• 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 210.250 g/mol
• XLogP3: -1.300
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 210.056 Da
• Monoisotopic Mass: 210.056 Da
• Topological Polar Surface Area: 115.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 167.000
• 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