(R)-B-methyl-4,5,5-triphenyl-1,3,2-oxazaborolidine - ≥95% , CAS No.155268-88-5

CAS: 155268-88-5 Cat. No.: R1266186 PubChem CID: 11066960

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: B1(NC(C(O1)(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)C
• IUPAC Name: (4R)-2-methyl-4,5,5-triphenyl-1,3,2-oxazaborolidine
• InChIKey: LDLRZFBSMOWZOS-HXUWFJFHSA-N
• INCHI: 1S/C21H20BNO/c1-22-23-20(17-11-5-2-6-12-17)21(24-22,18-13-7-3-8-14-18)19-15-9-4-10-16-19/h2-16,20,23H,1H3/t20-/m1/s1
• Isómeros SMILES: B1(N[C@@H](C(O1)(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)C
• CAS alternativo: 155268-88-5
• PubChem CID: 11066960

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Clase Stilbenes

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Clase: Stilbenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Stilbenes
• Alternative Parents: Diphenylmethanes Boronic acid esters Oxacyclic compounds Organic metalloid salts Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Monoalkylboranes Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Stilbene - Diphenylmethane - Monocyclic benzene moiety - Benzenoid - Boronic acid ester - Boronic acid derivative - Oxacycle - Azacycle - Organic metalloid salt - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic metalloid moeity - Alkylborane - Monoalkylborane - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.
• 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

• Peso molecular: 313.200 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 313.164 Da
• Monoisotopic Mass: 313.164 Da
• Topological Polar Surface Area: 21.300 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 379.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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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