Sequoyitol - 10mM in DMSO , CAS No.523-92-2

CAS: 523-92-2 Cat. No.: S424491 Fórmula: C₇H₁₄O₆ Peso molecular: 194.18

GRADE & PURITY 10mM in DMSO

Synonyms

CHEBI:179104 | STL511330 | (1R,2S,4R,5S)-6-methoxycyclohexane-1,2,3,4,5-pentol | (1R,2S,3r,4R,5S,6r)-6-methoxycyclohexane-1,2,3,4,5-pentol | 6A797581-AC95-4A84-9F74-C05E5465011A | MS-23046 | bmse000740 | 5-O-Methyl-myo-inositol | E80607 | CCG-266528 | 1-O

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Visão geral

Effect on amyloid beta 42 aggregation assessed as inhibition of fiber formation at 5 mM

Specifications

Sinónimos

CHEBI:179104 | STL511330 | (1R,2S,4R,5S)-6-methoxycyclohexane-1,2,3,4,5-pentol | (1R,2S,3r,4R,5S,6r)-6-methoxycyclohexane-1,2,3,4,5-pentol | 6A797581-AC95-4A84-9F74-C05E5465011A | MS-23046 | bmse000740 | 5-O-Methyl-myo-inositol | E80607 | CCG-266528 | 1-O

Especificações e pureza

10mM in DMSO

Condições de armazenamento de armazenamento

Store at -80°C

Enviado em

Dry ice packs + Cold packs

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Nomes e identificadores

• Pubchem Sid: 528767275
• Sorrisos canónicos: COC1C(C(C(C(C1O)O)O)O)O
• IUPAC Name: (1S,2R,4S,5R)-6-methoxycyclohexane-1,2,3,4,5-pentol
• InChIKey: DSCFFEYYQKSRSV-MVWKSXLKSA-N
• INCHI: 1S/C7H14O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-12H,1H3/t2?,3-,4+,5+,6-,7?
• SMILES isoméricas: COC1[C@@H]([C@H](C([C@H]([C@@H]1O)O)O)O)O
• Peso molecular: 194.18
• Reaxy-Rn: 2326506
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2326506&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Alcohols and polyols
        • Level5 Secondary alcohols
          • Level6 Cyclohexanols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Secondary alcohols
• Direct Parent: Cyclohexanols
• Alternative Parents: Cyclitols and derivatives Polyols Dialkyl ethers Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclohexanol - Cyclitol or derivatives - Cyclic alcohol - Polyol - Ether - Dialkyl ether - Hydrocarbon derivative - Aliphatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as cyclohexanols. These are compounds containing an alcohol group attached to a cyclohexane ring.
• 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

Mecanismos de ação

Propriedades químicas e físicas

• Peso molecular: 194.180 g/mol
• XLogP3: -3.200
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 194.079 Da
• Monoisotopic Mass: 194.079 Da
• Topological Polar Surface Area: 110.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 158.000
• 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