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

CAS: 523-92-2 Cat. No.: S424491 Summenformel: C₇H₁₄O₆ Molekulargewicht: 194.18

QUALITÄT & REINHEIT 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

Übersicht

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

Spezifikationen

Synonyme

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

Spezifikationen & Reinheit

10mM in DMSO

Storage

Store at -80°C

Verschickt in

Dry ice packs + Cold packs

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

Namen und Kennungen

Pubchem Sid

528767275

Kanonisches Lächeln

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?

Isomere SMILES

COC1[C@@H]([C@H](C([C@H]([C@@H]1O)O)O)O)O

Molekulargewicht

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
    • Klasse Organooxygen compounds
      • Subclass Alcohols and polyols
        • Ebene5 Secondary alcohols
          • Ebene6 Cyclohexanols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: 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
• Beschreibung: 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 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