(R)-(-)-BNP acid - ≥98% , CAS No.39648-67-4

CAS: 39648-67-4 Cat. No.: B107410 Peso molecular: 348.29 Beilstein Registry Number: 4713363 Número EC: 609-734-1

GRADE & PURITY ≥98%

Synonyms

(R)-(-)-1,1'-Binaphthyl-2,2'-diyl hydrogenphosphate, >=98% | (S)-(+)-2,2'-Dihydroxy-1,1'-binaphthyl Hydrogen Phosphate | Dinaphtho[2,1-d:1,2-f][1,3,2]dioxaphosphepin-4-ol 4-oxide # | FT-0604445 | J-019988 | AC-26903 | B1144 | EINECS 252-425-8 | AC7768 | (

Storage

Room temperature,Desiccated,Cool

Shipped In

Normal

Specifications

Sinónimos

(R)-(-)-1, 1'-Binaphthyl-2, 2'-diyl hydrogenphosphate, >=98% | (S)-(+)-2, 2'-Dihydroxy-1, 1'-binaphthyl Hydrogen Phosphate | Dinaphtho[2, 1-d:1, 2-f][1, 3, 2]dioxaphosphepin-4-ol 4-oxide # | FT-0604445 | J-019988 | AC-26903 | B1144 | EINECS 252-425-8 | AC7768 | (

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature, Desiccated, Cool

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C1=CC=C2C(=C1)C=CC3=C2C4=C(C=CC5=CC=CC=C54)OP(=O)(O3)O
• IUPAC Name: 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: JEHUZVBIUCAMRZ-UHFFFAOYSA-N
• INCHI: 1S/C20H13O4P/c21-25(22)23-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)24-25/h1-12H,(H,21,22)
• Isómeros SMILES: C1=CC=C2C(=C1)C=CC3=C2C4=C(C=CC5=CC=CC=C54)OP(=O)(O3)O
• WGK Alemania: 3
• Peso molecular: 348.29
• Beilstein: 4713363
• Reaxy-Rn: 2014273
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2014273&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: Naphthalenes Oxacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Aryl phosphodiester - Naphthalene - Benzenoid - 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 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

• Solubilidad: Solubility in hot Methanol, almost transparency.
• Rotación específica [α]: -595 ° (C=1, MeOH)
• Peso molecular: 348.300 g/mol
• XLogP3: 4.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 348.055 Da
• Monoisotopic Mass: 348.055 Da
• Topological Polar Surface Area: 55.800 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 508.000
• 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

Referencias

1. Xu Xu, Chaonan Jiao, Hao Yang, Hao Chen, Jing Wang.  (2022)  Oxidation of sodium cholate catalyzed by Au NPs and chiral selective binding of R- and S-binaphthyl derivatives.  COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS,      [PMID:] [10.1016/j.colsurfa.2022.129209]