tert-Butyl (4R,6S)-6-(Hydroxymethyl)-2,2-dimethyl-1,3-dioxane-4-acetate - ≥98% , CAS No.124655-09-0

CAS: 124655-09-0 Cat. No.: T162354 Peso molecular: 260.33 Número EC: 432-960-5 PubChem CID: 9816650

GRADE & PURITY ≥98%

Synonyms

D-Erythro-hexanoic acid 2,4-dideoxy-3,5-O-(1-methylethylidene)-1,1-dimethylethylester | T-butyl-(3R,5S)-6-hydroxy3,5-O-isopropylidene3,5-dihydroxyhexanoate | Q-102784 | SCHEMBL247199 | (4r-cis)-1,1-dimethylethyl 6-hydroxymethyl-2,2-dimethyl-1,3-dioxane-4-

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

D-Erythro-hexanoic acid 2, 4-dideoxy-3, 5-O-(1-methylethylidene)-1, 1-dimethylethylester | T-butyl-(3R, 5S)-6-hydroxy3, 5-O-isopropylidene3, 5-dihydroxyhexanoate | Q-102784 | SCHEMBL247199 | (4r-cis)-1, 1-dimethylethyl 6-hydroxymethyl-2, 2-dimethyl-1, 3-dioxane-4-

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504764899
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764899
• Sonrisas canónicas: CC1(OC(CC(O1)CO)CC(=O)OC(C)(C)C)C
• IUPAC Name: tert-butyl 2-[(4R,6S)-6-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate
• InChIKey: CFRUAOXMCVQMFP-ZJUUUORDSA-N
• INCHI: 1S/C13H24O5/c1-12(2,3)18-11(15)7-9-6-10(8-14)17-13(4,5)16-9/h9-10,14H,6-8H2,1-5H3/t9-,10+/m1/s1
• Isómeros SMILES: CC1(O[C@H](C[C@H](O1)CO)CC(=O)OC(C)(C)C)C
• PubChem CID: 9816650
• Peso molecular: 260.33

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Ethers
        • Level5 Acetals
          • Level6 Ketals

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Acetals
• Direct Parent: Ketals
• Alternative Parents: 1,3-dioxanes Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Ketal - Meta-dioxane - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxide - Hydrocarbon derivative - Primary alcohol - Carbonyl group - Alcohol - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as ketals. These are acetals derived from ketones by replacement of the oxo group by two hydrocarbyloxy groups R2C(OR)2 ( R not Hydrogen ). This term, once abandoned, has been reinstated as a subclass of acetals.
• 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

Propiedades químicas y físicas

• Solubilidad: Slightly soluble in Methanol
• Sensibilidad: Heat Sensitive
• Índice de refracción: 1.45
• Rotación específica [α]: -4° (C=2,MeOH)
• Punto de inflamación (°C): 113 °C
• Peso molecular: 260.329 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 260.162 Da
• Monoisotopic Mass: 260.162 Da
• Topological Polar Surface Area: 65.000 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 292.000
• 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