(S)-3,3′-Di-9-anthracenyl-1,1′-bi-2-naphthol - ≥95% , CAS No.361342-50-9

CAS: 361342-50-9 Cat. No.: I169904 Peso molecular: 638.75 Número EC: 687-028-2

GRADE & PURITY ≥95%

Synonyms

(S)-3,3'-Di(anthracen-9-yl)-[1,1'-binaphthalene]-2,2'-diol1 | (R)-3,3'-Di-9-anthracenyl-[1,1'-binaphthalene]-2,2'-diol | 3-anthracen-9-yl-1-(3-anthracen-9-yl-2-hydroxynaphthalen-1-yl)naphthalen-2-ol | 3-(9-Anthryl)-1-[3-(9-anthryl)-2-hydroxy-1-naphthyl]na

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

(S)-3, 3'-Di(anthracen-9-yl)-[1, 1'-binaphthalene]-2, 2'-diol1 | (R)-3, 3'-Di-9-anthracenyl-[1, 1'-binaphthalene]-2, 2'-diol | 3-anthracen-9-yl-1-(3-anthracen-9-yl-2-hydroxynaphthalen-1-yl)naphthalen-2-ol | 3-(9-Anthryl)-1-[3-(9-anthryl)-2-hydroxy-1-naphthyl]na

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

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

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 504765384
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765384
• Sonrisas canónicas: C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C4=CC5=CC=CC=C5C(=C4O)C6=C(C(=CC7=CC=CC=C76)C8=C9C=CC=CC9=CC1=CC=CC=C18)O
• IUPAC Name: 3-anthracen-9-yl-1-(3-anthracen-9-yl-2-hydroxynaphthalen-1-yl)naphthalen-2-ol
• InChIKey: XJKZPSCYLJRHEN-UHFFFAOYSA-N
• INCHI: 1S/C48H30O2/c49-47-41(43-35-19-7-1-13-29(35)25-30-14-2-8-20-36(30)43)27-33-17-5-11-23-39(33)45(47)46-40-24-12-6-18-34(40)28-42(48(46)50)44-37-21-9-3-15-31(37)26-32-16-4-10-22-38(32)44/h1-28,49-50H
• Isómeros SMILES: C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C4=CC5=CC=CC=C5C(=C4O)C6=C(C(=CC7=CC=CC=C76)C8=C9C=CC=CC9=CC1=CC=CC=C18)O
• WGK Alemania: 3
• Peso molecular: 638.75
• Reaxy-Rn: 13610773
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13610773&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lignans, neolignans and related compounds
    • Clase Arylnaphthalene lignans

• Kingdom: Organic compounds
• Superclass: Lignans, neolignans and related compounds
• Clase: Arylnaphthalene lignans
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Arylnaphthalene lignans
• Alternative Parents: Anthracenes Naphthols and derivatives Phenols Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Arylnaphthalene lignan skeleton - Anthracene - 2-naphthol - Phenol - Benzenoid - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as arylnaphthalene lignans. These are lignans containing the arylnaphthalene skeleton, especially 9-(2H-1,3-benzodioxol-5-yl)-1H,3H-naphtho[2,3-c]furan-1-one or a derivative thereof. Arylnaphthalene lignans occur in nature and exhibit diverse biological activities.
• 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

• Punto de fusión (°C): 239-242 °C
• Peso molecular: 638.700 g/mol
• XLogP3: 13.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 638.225 Da
• Monoisotopic Mass: 638.225 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 50
• Formal Charge: 0
• Complexity: 1020.000
• 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