D-Glucose Diethyl Mercaptal - ≥98% , CAS No.1941-52-2

CAS: 1941-52-2 Cat. No.: D404498 Summenformel: C₁₀H₂₂O₅S₂ Molekulargewicht: 286.4

GRADE & PURITY ≥98%

Synonyms

D-Glucose diethyl dithioacetal | CCG-249811 | A813702 | AS-70268 | MLS001148077 | (2R,3R,4S,5R)-6,6-bis(ethylsulfanyl)hexane-1,2,3,4,5-pentol | SCHEMBL905563 | MFCD00004706 | HMS2234N22 | (2R,3R,4S,5R)-6,6-Bis(ethylthio)hexane-1,2,3,4,5-pentaol | MLS00002

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyme

D-Glucose diethyl dithioacetal | CCG-249811 | A813702 | AS-70268 | MLS001148077 | (2R,3R,4S,5R)-6,6-bis(ethylsulfanyl)hexane-1,2,3,4,5-pentol | SCHEMBL905563 | MFCD00004706 | HMS2234N22 | (2R,3R,4S,5R)-6,6-Bis(ethylthio)hexane-1,2,3,4,5-pentaol | MLS00002

Spezifikationen & Reinheit

≥98%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 508810457
• Kanonisches Lächeln: CCSC(C(C(C(C(CO)O)O)O)O)SCC
• IUPAC Name: (2R,3R,4S,5R)-6,6-bis(ethylsulfanyl)hexane-1,2,3,4,5-pentol
• InChIKey: BTOYCPDACQXQRS-LURQLKTLSA-N
• INCHI: 1S/C10H22O5S2/c1-3-16-10(17-4-2)9(15)8(14)7(13)6(12)5-11/h6-15H,3-5H2,1-2H3/t6-,7-,8+,9-/m1/s1
• Isomere SMILES: CCSC([C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)SCC
• Molekulargewicht: 286.4
• Reaxy-Rn: 23269289
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23269289&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Ebene5 Monosaccharides
          • Ebene6 Hexoses

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Monosaccharides
• Direct Parent: Hexoses
• Alternative Parents: Dithioacetals Secondary alcohols Sulfenyl compounds Polyols Dialkylthioethers Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hexose monosaccharide - Thioacetal - Secondary alcohol - Dialkylthioether - Sulfenyl compound - Thioether - Polyol - Hydrocarbon derivative - Primary alcohol - Organosulfur compound - Alcohol - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as hexoses. These are monosaccharides in which the sugar unit is a is a six-carbon containing moeity.
• 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

Zugehörige Ziele (menschlich)

GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

Discover Target: CBX1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Zugehörige Ziele (nicht menschlich)

ampC Beta-lactamase AmpC (62480 Activities)

Discover Target: ampC

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Hygroscopic
• Spezifische Drehung [α]: -38.5° (C=2,H2O)
• Schmelzpunkt (°C): 128 °C
• Molekulargewicht: 286.400 g/mol
• XLogP3: -0.700
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 9
• Exact Mass: 286.091 Da
• Monoisotopic Mass: 286.091 Da
• Topological Polar Surface Area: 152.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 190.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• 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

Referenzen

1. Junlang Qiu, Guosheng Chen, Fang Zhu, Gangfeng Ouyang.  (2016)  Sulfonated nanoparticles doped electrospun fibers with bioinspired polynorepinephrine sheath for in vivo solid-phase microextraction of pharmaceuticals in fish and vegetable.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:27295966] [10.1016/j.chroma.2016.05.082]

2. Xie Xiaoyu, Liu Xia, Pan Xiaoyan, Chen Liang, Wang Sicen.  (2015)  Surface-imprinted magnetic particles for highly selective sulfonamides recognition prepared by reversible addition fragmentation chain transfer polymerization.  ANALYTICAL AND BIOANALYTICAL CHEMISTRY,  408  (3): (963-970).  [PMID:26637219] [10.1007/s00216-015-9190-4]

3. Lina Gao, Junfei Wu, Hai-Bo Liu, Qian Zhao, Jing Wang.  (2025)  Metal-mediated chitosan@mesoporous silica-based ultrasensitive fluorescent probe for the ratiometic and colorimetric detection of tetracycline antibiotics.  INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES,      [PMID:39924023] [10.1016/j.ijbiomac.2025.140779]

4. Liu Huachun, Gong Bolin, Zhou Yanqiang, Sun Zhian, Wang Xiaoxiao, Zhao Shanwen.  (2020)  Preparation of high-capacity magnetic polystyrene sulfonate sodium material based on SI-ATRP method and its adsorption property research for sulfonamide antibiotics.  BMC Chemistry,  14  (1): (1-11).  [PMID:31956861] [10.1186/s13065-019-0658-8]