Trimethylsilyl-meso-inositol - ≥98% , CAS No.2582-79-8

CAS: 2582-79-8 Cat. No.: T121215 Molecular Weight: 613.24 PubChem CID: 520232

GRADE & PURITY ≥98%

Synonyms

Myo-Inositol, 1,2,3,4,5,6-hexakis-O-(trimethylsilyl)- | Trimethyl((2,3,4,5,6-pentakis[(trimethylsilyl)oxy]cyclohexyl)oxy)silane | Myo-Inositol, 6TMS derivative | 1-O,2-O,3-O,4-O,5-O,6-O-Hexakis(trimethylsilyl)-scyllo-inositol | HY-W145684 | scyllo-Inosito

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

Myo-Inositol, 1, 2, 3, 4, 5, 6-hexakis-O-(trimethylsilyl)- | Trimethyl((2, 3, 4, 5, 6-pentakis[(trimethylsilyl)oxy]cyclohexyl)oxy)silane | Myo-Inositol, 6TMS derivative | 1-O, 2-O, 3-O, 4-O, 5-O, 6-O-Hexakis(trimethylsilyl)-scyllo-inositol | HY-W145684 | scyllo-Inosito

Specifications & Purity

≥98%

Storage

Store at 2-8°C

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: C[Si](C)(C)OC1C(C(C(C(C1O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C
• IUPAC Name: trimethyl-[2,3,4,5,6-pentakis(trimethylsilyloxy)cyclohexyl]oxysilane
• InChIKey: FRTKXRNTVMCAKI-UHFFFAOYSA-N
• INCHI: 1S/C24H60O6Si6/c1-31(2,3)25-19-20(26-32(4,5)6)22(28-34(10,11)12)24(30-36(16,17)18)23(29-35(13,14)15)21(19)27-33(7,8)9/h19-24H,1-18H3
• Isomeric SMILES: C[Si](C)(C)OC1C(C(C(C(C1O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C
• WGK Germany: 3
• PubChem CID: 520232
• Molecular Weight: 613.24

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Alcohols and polyols
        • Level5 Cyclic alcohols and derivatives
          • Level6 Cyclitols and derivatives

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Cyclic alcohols and derivatives
• Direct Parent: Cyclitols and derivatives
• Alternative Parents: Trialkylheterosilanes Silyl ethers Organic metalloid salts Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclitol or derivatives - Trialkylheterosilane - Silyl ether - Organoheterosilane - Organic metalloid salt - Hydrocarbon derivative - Organic salt - Organosilicon compound - Aliphatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as cyclitols and derivatives. These are compounds containing a cycloalkane moiety with one hydroxyl group on each of three or more ring atoms. These of also include derivatives where the hydrogen atom of one or more of the hydroxyl groups is replaced with another atom.
• 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

Chemical and Physical Properties

• Molecular Weight: 613.200 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 12
• Exact Mass: 612.301 Da
• Monoisotopic Mass: 612.301 Da
• Topological Polar Surface Area: 55.400 Ų
• Heavy Atom Count: 36
• Formal Charge: 0
• Complexity: 530.000
• 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

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