(4S,5R)‐4‐[(tert‐butyldimethylsilyl)oxy]‐5‐{[(tert‐butyldimethylsilyl)oxy]methyl}oxolan‐2‐one - ≥97% , CAS No.83159-91-5

CAS: 83159-91-5 Cat. No.: S177540 Molecular Weight: 360.6363 PubChem CID: 10761020

GRADE & PURITY ≥97%

Synonyms

C17H36O4Si2 | (4S,5R)-4-{[tert-Butyl(dimethyl)silyl]oxy}-5-({[tert-butyl(dimethyl)silyl]oxy}methyl)oxolan-2-one (non-preferred name) | 3,5-Di-O-(t-Butyldimethylsilyl)-2-deoxy-D-ribono-1,4-lactone | (4S,5R)-4-[(tert-Butyldimethylsilyl)oxy]-5-{[(tert-butyld

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

C17H36O4Si2 | (4S, 5R)-4-{[tert-Butyl(dimethyl)silyl]oxy}-5-({[tert-butyl(dimethyl)silyl]oxy}methyl)oxolan-2-one (non-preferred name) | 3, 5-Di-O-(t-Butyldimethylsilyl)-2-deoxy-D-ribono-1, 4-lactone | (4S, 5R)-4-[(tert-Butyldimethylsilyl)oxy]-5-{[(tert-butyld

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CC(C)(C)[Si](C)(C)OCC1C(CC(=O)O1)O[Si](C)(C)C(C)(C)C
• IUPAC Name: (4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-one
• InChIKey: DCFHRVSQGCDCMH-UONOGXRCSA-N
• INCHI: 1S/C17H36O4Si2/c1-16(2,3)22(7,8)19-12-14-13(11-15(18)20-14)21-23(9,10)17(4,5)6/h13-14H,11-12H2,1-10H3/t13-,14+/m0/s1
• Isomeric SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1[C@H](CC(=O)O1)O[Si](C)(C)C(C)(C)C
• PubChem CID: 10761020
• Molecular Weight: 360.6363

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Lactones
      • Subclass Gamma butyrolactones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Lactones
• Subclass: Gamma butyrolactones
• Intermediate Tree Nodes: Not available
• Direct Parent: Gamma butyrolactones
• Alternative Parents: Trialkylheterosilanes Oxolanes Silyl ethers Carboxylic acid esters Oxacyclic compounds Organic metalloid salts Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Gamma butyrolactone - Trialkylheterosilane - Oxolane - Carboxylic acid ester - Silyl ether - Carboxylic acid derivative - Organoheterosilane - Oxacycle - Organic metalloid salt - Monocarboxylic acid or derivatives - Carbonyl group - Organooxygen compound - Organic metalloid moeity - Organosilicon compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as gamma butyrolactones. These are compounds containing a gamma butyrolactone moiety, which consists of an aliphatic five-member ring with four carbon atoms, one oxygen atom, and bears a ketone group on the carbon adjacent to the oxygen 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: 360.600 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 360.215 Da
• Monoisotopic Mass: 360.215 Da
• Topological Polar Surface Area: 44.800 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 433.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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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