(S)-3,3'-Bis(4-methoxyphenyl)-[1,1'-binaphthalene]-2,2'-diol - ≥98% , CAS No.1199631-29-2

CAS: 1199631-29-2 Cat. No.: S299804 Peso molecular: 498.57 PubChem CID: 101897353

GRADE & PURITY ≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

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: 504772779
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504772779
• Sonrisas canónicas: COC1=CC=C(C=C1)C2=CC3=CC=CC=C3C(=C2O)C4=C(C(=CC5=CC=CC=C54)C6=CC=C(C=C6)OC)O
• IUPAC Name: 1-[2-hydroxy-3-(4-methoxyphenyl)naphthalen-1-yl]-3-(4-methoxyphenyl)naphthalen-2-ol
• InChIKey: AHWULKUPHJNJHQ-UHFFFAOYSA-N
• INCHI: 1S/C34H26O4/c1-37-25-15-11-21(12-16-25)29-19-23-7-3-5-9-27(23)31(33(29)35)32-28-10-6-4-8-24(28)20-30(34(32)36)22-13-17-26(38-2)18-14-22/h3-20,35-36H,1-2H3
• Isómeros SMILES: COC1=CC=C(C=C1)C2=CC3=CC=CC=C3C(=C2O)C4=C(C(=CC5=CC=CC=C54)C6=CC=C(C=C6)OC)O
• PubChem CID: 101897353
• Peso molecular: 498.57

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Naphthalenes
      • Subclass Phenylnaphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Naphthalenes
• Subclass: Phenylnaphthalenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylnaphthalenes
• Alternative Parents: Naphthols and derivatives Phenoxy compounds Methoxybenzenes Anisoles Phenols Alkyl aryl ethers Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Phenylnaphthalene - 2-naphthol - Phenoxy compound - Methoxybenzene - Phenol ether - Anisole - Phenol - Alkyl aryl ether - Monocyclic benzene moiety - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylnaphthalenes. These are compounds containing a phenylnaphthalene skeleton, which consists of a naphthalene bound to a phenyl group.
• 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: 498.600 g/mol
• XLogP3: 8.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 498.183 Da
• Monoisotopic Mass: 498.183 Da
• Topological Polar Surface Area: 58.900 Ų
• Heavy Atom Count: 38
• Formal Charge: 0
• Complexity: 679.000
• 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