(11bS)-8,9,10,11,12,13,14,15-Octahydro-4-hydroxy-2,6-bis(triphenylsilyl)-4-oxide-dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin - ≥98% , CAS No.1157989-25-7

CAS: 1157989-25-7 Cat. No.: B281949 Peso molecular: 873.1

GRADE & PURITY ≥98%

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

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

• Sonrisas canónicas: C1CCC2=C3C4=C5CCCCC5=CC(=C4OP(=O)(OC3=C(C=C2C1)[Si](C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)O)[Si](C9=CC=CC=C9)(C1=CC=CC=C1)C1=CC=CC=C1
• IUPAC Name: (13-hydroxy-13-oxo-16-triphenylsilyl-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(23),2,8,10,15,17-hexaen-10-yl)-triphenylsilane
• InChIKey: PQNJTMDSQLWCTJ-UHFFFAOYSA-N
• INCHI: 1S/C56H49O4PSi2/c57-61(58)59-55-51(62(43-25-7-1-8-26-43,44-27-9-2-10-28-44)45-29-11-3-12-30-45)39-41-23-19-21-37-49(41)53(55)54-50-38-22-20-24-42(50)40-52(56(54)60-61)63(46-31-13-4-14-32-46,47-33-15-5-16-34-47)48-35-17-6-18-36-48/h1-18,25-36,39-40H,19-24,37-38H2,(H,57,58)
• Isómeros SMILES: C1CCC2=C3C4=C5CCCCC5=CC(=C4OP(=O)(OC3=C(C=C2C1)[Si](C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)O)[Si](C9=CC=CC=C9)(C1=CC=CC=C1)C1=CC=CC=C1
• Peso molecular: 873.1
• Reaxy-Rn: 21893363
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21893363&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Organic phosphoric acids and derivatives
      • Subclass Phosphate esters
        • Level5 Aryl phosphates
          • Level6 Aryl phosphodiesters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Organic phosphoric acids and derivatives
• Subclass: Phosphate esters
• Intermediate Tree Nodes: Aryl phosphates
• Direct Parent: Aryl phosphodiesters
• Alternative Parents: Tetralins Benzene and substituted derivatives Oxacyclic compounds Organic metalloid salts Organosilicon compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Aryl phosphodiester - Tetralin - Benzenoid - Monocyclic benzene moiety - Oxacycle - Organic metalloid salt - Organoheterocyclic compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosilicon compound - Organooxygen compound - Organic metalloid moeity - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aryl phosphodiesters. These are aryl phosphates in which the phosphate is esterified at exactly two positions.
• 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: 873.100 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 872.291 Da
• Monoisotopic Mass: 872.291 Da
• Topological Polar Surface Area: 55.800 Ų
• Heavy Atom Count: 63
• Formal Charge: 0
• Complexity: 1320.000
• 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

XLogP3