scyllo-Inositol - Moligand™, ≥99%(HPLC) , CAS No.488-59-5

CAS: 488-59-5 Cat. No.: S133457 Molecular Weight: 180.16 Beilstein Registry Number: 6(4)7920 EC Number: 610-437-4

GRADE & PURITY Moligand™, ≥99%(HPLC)

Synonyms

DTLET | AZD 103 | D-chiro-Inositol | (1R,2R,3R,4S,5S,6s)-cyclohexane-1,2,3,4,5,6-hexaol | Inosite | L-Inositol | (-)-chiro-Inositol | Mesovit | NSC-25142 | 1,2,3,4,5,6-Cyclohexanehexol | 1L-myo-Inositol | cis-1,2,3,5-trans-4,6-Cyclohexanehexol | CCRIS 674

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

scyllo-Inositol is one of the eight naturally occurring isomers of inositol. scyllo-Inositol can be detected using NMR at a peak at 3.35 ppm in the 1H-NMR spectrum, and a peak at 74.5 ppm in the 13C-NMR spectrum. Certain enzymes have been shown to interconvert myo- and scyllo-Inositol while at the same to producing neo-Inositol.
A naturally occurring isomer of myo-inositol

Specifications

Synonyms

DTLET | AZD 103 | D-chiro-Inositol | (1R, 2R, 3R, 4S, 5S, 6s)-cyclohexane-1, 2, 3, 4, 5, 6-hexaol | Inosite | L-Inositol | (-)-chiro-Inositol | Mesovit | NSC-25142 | 1, 2, 3, 4, 5, 6-Cyclohexanehexol | 1L-myo-Inositol | cis-1, 2, 3, 5-trans-4, 6-Cyclohexanehexol | CCRIS 674

Specifications & Purity

Moligand™, ≥99%(HPLC)

Biochemical and Physiological Mechanisms

Endogenous inositol isomer. Inhibits amyloid β peptide aggregation in vivo . Readily crosses the blood-brain barrier.

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Grade

Moligand™

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥99%(HPLC)

Names and Identifiers

• Pubchem Sid: 528776407
• Canonical Smiles: C1(C(C(C(C(C1O)O)O)O)O)O
• IUPAC Name: cyclohexane-1,2,3,4,5,6-hexol
• InChIKey: CDAISMWEOUEBRE-UHFFFAOYSA-N
• INCHI: 1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H
• Isomeric SMILES: C1(C(C(C(C(C1O)O)O)O)O)O
• WGK Germany: 3
• Molecular Weight: 180.16
• Beilstein: 6(4)7920
• Reaxy-Rn: 1907328
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1907328&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: Sugar alcohols Cyclitols and derivatives Polyols Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclohexanol - Sugar alcohol - Cyclitol or derivatives - Cyclic alcohol - Polyol - 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: an inositol

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

Chemical and Physical Properties

• Solubility: Soluble in water (50 mg/ml, clear).
• Melt Point(°C): 350°C(lit.)
• Molecular Weight: 180.160 g/mol
• XLogP3: -3.700
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 180.063 Da
• Monoisotopic Mass: 180.063 Da
• Topological Polar Surface Area: 121.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 104.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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