D-(+)-chiro-Inositol - Moligand™, ≥98%(HPLC) , CAS No.643-12-9

CAS: 643-12-9 Cat. No.: D131001 Molecular Weight: 180.16 EC Number: 211-394-0

GRADE & PURITY Moligand™, ≥98%(HPLC)

Synonyms

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 6745 | Inos

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Overview

D-chiro-Inositol is a white powder. It is found throughout many living systems but commonly in legumes, beans and other plants in a monomethylated or glycosylated form. It is also found in more complex structure
The inositols and their phosphates have been used in the development of metabolically stable insulin mediators, inhibitors, and modulators of important metabolic functions such as glycolysis. Inositols are stable to degradative enzymes in vivo because they lack a hydrolytically labile glycosidic linkage.

Specifications

Synonyms

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 6745 | Inos

Specifications & Purity

Moligand™, ≥98%(HPLC)

Biochemical and Physiological Mechanisms

Important second messenger in insulin signal transduction.

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.

Grade

Moligand™

Action Type

INHIBITOR

Purity

≥98%(HPLC)

Names and Identifiers

• 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
• 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

• Sensitivity: Light and moisture sensitive
• Melt Point(°C): 230°C
• 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