(R)-3,3′-Bis(9-anthracenyl)-1,1′-binaphthyl-2,2′-diyl hydrogenphosphate - ≥95% , CAS No.361342-51-0

CAS: 361342-51-0 Cat. No.: I169905 Peso molecular: 700.72 Número EC: 636-848-9

GRADE & PURITY ≥95%

Synonyms

10,16-bis(anthracen-9-yl)-13-hydroxy-12,14-dioxa-13??-phosphapentacyclo[13.8.0.0?,??.0?,?.0??,??]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-one | (11br)-2,6-Di(anthracen-9-yl)-4-hydroxydinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine 4-oxide | (11bR

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

10, 16-bis(anthracen-9-yl)-13-hydroxy-12, 14-dioxa-13??-phosphapentacyclo[13.8.0.0?, ??.0?, ?.0??, ??]tricosa-1(15), 2(11), 3, 5, 7, 9, 16, 18, 20, 22-decaen-13-one | (11br)-2, 6-Di(anthracen-9-yl)-4-hydroxydinaphtho[2, 1-d:1', 2'-f][1, 3, 2]dioxaphosphepine 4-oxide | (11bR

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Protected from light, Store at -20°C, Argon charged

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

• Sonrisas canónicas: C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C4=CC5=CC=CC=C5C6=C4OP(=O)(OC7=C6C8=CC=CC=C8C=C7C9=C1C=CC=CC1=CC1=CC=CC=C19)O
• IUPAC Name: 10,16-di(anthracen-9-yl)-13-hydroxy-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 13-oxide
• InChIKey: QYJHYRSRVCOHMY-UHFFFAOYSA-N
• INCHI: 1S/C48H29O4P/c49-53(50)51-47-41(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)52-53)44-37-21-9-3-15-31(37)26-32-16-4-10-22-38(32)44/h1-28H,(H,49,50)
• Isómeros SMILES: C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C4=CC5=CC=CC=C5C6=C4OP(=O)(OC7=C6C8=CC=CC=C8C=C7C9=C1C=CC=CC1=CC1=CC=CC=C19)O
• WGK Alemania: 3
• Peso molecular: 700.72
• Reaxy-Rn: 10633217
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10633217&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 Aryl phosphodiesters Oxacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Arylnaphthalene lignan skeleton - Anthracene - Aryl phosphodiester - Aryl phosphate - Benzenoid - Organic phosphoric acid derivative - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic 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

• Sensibilidad: Moisture,light and heat sensitive
• Punto de fusión (°C): 288-292 °C (D)
• Peso molecular: 700.700 g/mol
• XLogP3: 13.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 700.18 Da
• Monoisotopic Mass: 700.18 Da
• Topological Polar Surface Area: 55.800 Ų
• Heavy Atom Count: 53
• Formal Charge: 0
• Complexity: 1210.000
• 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