(11bS)-2,6-Di-9-phenanthrenyl-4-hydroxy-4-oxide-dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin - ≥98% , CAS No.1043567-32-3

CAS: 1043567-32-3 Cat. No.: B299741 Peso molecular: 700.7

GRADE & PURITY ≥98%

Synonyms

(11bR)-2,6-Di-9-phenanthrenyl-4-hydroxy-dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-oxide | 13-hydroxy-10,16-di(phenanthren-9-yl)-12,14-dioxa-13$l^{5-phosphapentacyclo[13.8.0.0^{2,11.0^{3,8.0^{18,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 13-

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

(11bR)-2, 6-Di-9-phenanthrenyl-4-hydroxy-dinaphtho[2, 1-d:1', 2'-f][1, 3, 2]dioxaphosphepin-4-oxide | 13-hydroxy-10, 16-di(phenanthren-9-yl)-12, 14-dioxa-13$l^{5-phosphapentacyclo[13.8.0.0^{2, 11.0^{3, 8.0^{18, 23]tricosa-1(15), 2(11), 3, 5, 7, 9, 16, 18, 20, 22-decaene 13-

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: C1=CC=C2C(=C1)C=C(C3=CC=CC=C23)C4=CC5=CC=CC=C5C6=C4OP(=O)(OC7=C6C8=CC=CC=C8C=C7C9=CC1=CC=CC=C1C1=CC=CC=C19)O
• IUPAC Name: 13-hydroxy-10,16-di(phenanthren-9-yl)-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: BVICVEIKBNVROI-UHFFFAOYSA-N
• INCHI: 1S/C48H29O4P/c49-53(50)51-47-43(41-25-29-13-1-5-17-33(29)37-21-9-11-23-39(37)41)27-31-15-3-7-19-35(31)45(47)46-36-20-8-4-16-32(36)28-44(48(46)52-53)42-26-30-14-2-6-18-34(30)38-22-10-12-24-40(38)42/h1-28H,(H,49,50)
• Isómeros SMILES: C1=CC=C2C(=C1)C=C(C3=CC=CC=C23)C4=CC5=CC=CC=C5C6=C4OP(=O)(OC7=C6C8=CC=CC=C8C=C7C9=CC1=CC=CC=C1C1=CC=CC=C19)O
• Peso molecular: 700.7
• Reaxy-Rn: 22379252
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22379252&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenanthrenes and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenanthrenes and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenanthrenes and derivatives
• Alternative Parents: Aryl phosphodiesters Naphthalenes Oxacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenanthrene - Aryl phosphodiester - Aryl phosphate - Naphthalene - 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 phenanthrenes and derivatives. These are polycyclic compounds containing a phenanthrene moiety, which is a tricyclic aromatic compound with three non-linearly fused benzene.
• 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: air sensitive
• 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: 1250.000
• 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