(±)-1,1'-Binaphthyl-2,2'-diyl Hydrogenphosphate - ≥99% , CAS No.35193-63-6

CAS: 35193-63-6 Cat. No.: B120028 Molecular Weight: 348.29 Beilstein Registry Number: 6(2)1027 EC Number: 252-425-8

GRADE & PURITY ≥99%

Synonyms

BNDHP | (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 | AC

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

BNDHP | (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 | AC

Specifications & Purity

≥99%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 504756444
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756444
• Canonical Smiles: 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)
• Isomeric SMILES: C1=CC=C2C(=C1)C=CC3=C2C4=C(C=CC5=CC=CC=C54)OP(=O)(O3)O
• WGK Germany: 3
• Molecular Weight: 348.29
• Beilstein: 6(2)1027
• 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
    • Class Organic phosphoric acids and derivatives
      • Subclass Phosphate esters
        • Level5 Aryl phosphates
          • Level6 Aryl phosphodiesters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: 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
• Description: 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

Chemical and Physical Properties

• Solubility: Extremely low soluble in water.
• Molecular Weight: 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

References

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]