Sequoyitol - ≥98% , CAS No.523-92-2

CAS: 523-92-2 Cat. No.: S418595 Molecular Weight: 194.18

GRADE & PURITY ≥98%

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 2-8°C,Protected from light

Shipped In

Wet ice

Overview

Product Describtion:

Sequoyitol (5-O-Methyl-myo-inositol) is isolated from plants. Sequoyitol (5-O-Methyl-myo-inositol) decreases blood glucose, improves glucose intolerance, and is used to treat diabetes 

Specifications

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

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Protected from light

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: 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?
• Isomeric SMILES: COC1[C@@H]([C@H](C([C@H]([C@@H]1O)O)O)O)O
• Molecular Weight: 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
    • Class Organooxygen compounds
      • Subclass Alcohols and polyols
        • Level5 Secondary alcohols
          • Level6 Cyclohexanols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: 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
• Description: 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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Light sensitive
• Molecular Weight: 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