Dibenzo-21-crown 7-Ether - ≥96% , CAS No.14098-41-0

CAS: 14098-41-0 Cat. No.: D302831 Fórmula: C₂₂H₂₈O₇ Peso molecular: 404.45 Número EC: 680-066-0

GRADE & PURITY ≥96%

Synonyms

DTXSID30342925 | 2,5,8,15,18,21,24-heptaoxatricyclo[23.4.0.0^{9,14]nonacosa-1(29),9,11,13,25,27-hexaene | J-007439 | AB01099894-03 | AKOS001025168 | SY052448 | Dibenzo[b,k][1,4,7,10,13,16,19]heptaoxacycloheneicosin, 6,7,9,10,12,13,20,21,23,24-decahydro- |

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

DTXSID30342925 | 2,5,8,15,18,21,24-heptaoxatricyclo[23.4.0.0^{9,14]nonacosa-1(29),9,11,13,25,27-hexaene | J-007439 | AB01099894-03 | AKOS001025168 | SY052448 | Dibenzo[b,k][1,4,7,10,13,16,19]heptaoxacycloheneicosin, 6,7,9,10,12,13,20,21,23,24-decahydro- |

Especificaciones y pureza

≥96%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥96%

Product Line

D302831-250mg

Nombres e identificadores

Pubchem Sid

528769763

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528769763

Sonrisas canónicas

C1COCCOC2=CC=CC=C2OCCOCCOC3=CC=CC=C3OCCO1

IUPAC Name

2,5,8,15,18,21,24-heptaoxatricyclo[23.4.0.09,14]nonacosa-1(29),9,11,13,25,27-hexaene

InChIKey

JKCQOMAQPUYHPL-UHFFFAOYSA-N

INCHI

1S/C22H28O7/c1-3-7-21-19(5-1)26-15-11-23-9-10-24-12-16-27-20-6-2-4-8-22(20)29-18-14-25-13-17-28-21/h1-8H,9-18H2

Isómeros SMILES

C1COCCOC2=CC=CC=C2OCCOCCOC3=CC=CC=C3OCCO1

WGK Alemania

3

Peso molecular

404.45

Reaxy-Rn

1693830

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1693830&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Alkyl aryl ethers
• Alternative Parents: Benzenoids Oxacyclic compounds Dialkyl ethers Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alkyl aryl ether - Benzenoid - Oxacycle - Organoheterocyclic compound - Dialkyl ether - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alkyl aryl ethers. These are organic compounds containing the alkyl aryl ether functional group with the generic formula R-O-R' , where R is an alkyl group and R' is an aryl group.
• 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

• Punto de fusión (°C): 107 °C
• Peso molecular: 404.500 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 0
• Exact Mass: 404.184 Da
• Monoisotopic Mass: 404.184 Da
• Topological Polar Surface Area: 64.599 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 373.000
• 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