3,6-Di-O-tert-butyldimethylsilyl-D-glucal - ≥97% , CAS No.111830-53-6

CAS: 111830-53-6 Cat. No.: D1242826 PubChem CID: 14176659

GRADE & PURITY ≥97%

Storage

Room temperature

Shipped In

Normal

Specifications

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CC(C)(C)[Si](C)(C)OCC1C(C(C=CO1)O[Si](C)(C)C(C)(C)C)O
• IUPAC Name: (2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-3-ol
• InChIKey: JVPOCCACFOBDEV-OAGGEKHMSA-N
• INCHI: 1S/C18H38O4Si2/c1-17(2,3)23(7,8)21-13-15-16(19)14(11-12-20-15)22-24(9,10)18(4,5)6/h11-12,14-16,19H,13H2,1-10H3/t14-,15-,16+/m1/s1
• Isomeric SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1[C@H]([C@@H](C=CO1)O[Si](C)(C)C(C)(C)C)O
• Alternate CAS: 111830-53-6
• PubChem CID: 14176659

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organometallic compounds
    • Class Organometalloid compounds
      • Subclass Organosilicon compounds
        • Level5 Organoheterosilanes
          • Level6 Trialkylheterosilanes

• Kingdom: Organic compounds
• Superclass: Organometallic compounds
• Class: Organometalloid compounds
• Subclass: Organosilicon compounds
• Intermediate Tree Nodes: Organoheterosilanes
• Direct Parent: Trialkylheterosilanes
• Alternative Parents: Silyl ethers Secondary alcohols Oxacyclic compounds Organic metalloid salts Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Trialkylheterosilane - Silyl ether - Secondary alcohol - Oxacycle - Organic metalloid salt - Organoheterocyclic compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as trialkylheterosilanes. These are organoheterosilanes, bearing a silicon atom linked to three alkyl groups and one heteroatom.
• 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: 374.700 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 374.231 Da
• Monoisotopic Mass: 374.231 Da
• Topological Polar Surface Area: 47.900 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 447.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• 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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