Calix[4]arene - ≥98%(HPLC) , CAS No.74568-07-3

CAS: 74568-07-3 Cat. No.: C153274 Summenformel: C₂₈H₂₄O₄ Molekulargewicht: 424.5 EG-Nummer: 616-117-0

GRADE & PURITY ≥98%(HPLC)

Synonyms

BBL103831 | BCP20512 | SCHEMBL1471552 | J-700384 | STL557641 | W-203703 | Calix[4]arene | pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene-25,26,27,28-tetrol | 25,26,27,28-Tetrahydroxycalix[4]aren | SY0

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

BBL103831 | BCP20512 | SCHEMBL1471552 | J-700384 | STL557641 | W-203703 | Calix[4]arene | pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene-25,26,27,28-tetrol | 25,26,27,28-Tetrahydroxycalix[4]aren | SY0

Spezifikationen & Reinheit

≥98%(HPLC)

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%(HPLC)

Namen und Kennungen

Pubchem Sid

488190311

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488190311

Kanonisches Lächeln

C1C2=C(C(=CC=C2)CC3=C(C(=CC=C3)CC4=CC=CC(=C4O)CC5=CC=CC1=C5O)O)O

IUPAC Name

pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene-25,26,27,28-tetrol

InChIKey

YPNHVQZZPXPQOS-UHFFFAOYSA-N

INCHI

1S/C28H24O4/c29-25-17-5-1-6-18(25)14-20-8-3-10-22(27(20)31)16-24-12-4-11-23(28(24)32)15-21-9-2-7-19(13-17)26(21)30/h1-12,29-32H,13-16H2

Isomere SMILES

C1C2=C(C(=CC=C2)CC3=C(C(=CC=C3)CC4=CC=CC(=C4O)CC5=CC=CC1=C5O)O)O

WGK Deutschland

3

Molekulargewicht

424.5

Reaxy-Rn

3574428

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3574428&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Phenols
      • Subclass 1-hydroxy-4-unsubstituted benzenoids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Phenols
• Subclass: 1-hydroxy-4-unsubstituted benzenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: 1-hydroxy-4-unsubstituted benzenoids
• Alternative Parents: Polyols Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 1-hydroxy-4-unsubstituted benzenoid - Polyol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as 1-hydroxy-4-unsubstituted benzenoids. These are phenols that are unsubstituted at the 4-position.
• 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in chloroform
• Molekulargewicht: 424.500 g/mol
• XLogP3: 6.300
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 424.167 Da
• Monoisotopic Mass: 424.167 Da
• Topological Polar Surface Area: 80.900 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 466.000
• 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