Colutehydroquinone - Moligand™, ≥98% , CAS No.181311-16-0

CAS: 181311-16-0 Cat. No.: C982074 Summenformel: C₁₈H₂₀O₆ Molekulargewicht: 332.35

GRADE & PURITY Moligand™, ≥98%

Storage

Protected from light,Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Specifications

Spezifikationen & Reinheit

Moligand™, ≥98%

Storage

Protected from light,Store at -20°C,Desiccated

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Note

Moligand™

Aktionsart

INHIBITOR

Reinheit

≥98%

Namen und Kennungen

• Kanonisches Lächeln: COC1=CC2=C(CC(CO2)C3=CC(=C(C(=C3O)OC)OC)O)C=C1
• IUPAC Name: 2,3-dimethoxy-5-[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]benzene-1,4-diol
• InChIKey: RRVWIPPRKMQDAO-NSHDSACASA-N
• INCHI: 1S/C18H20O6/c1-21-12-5-4-10-6-11(9-24-15(10)7-12)13-8-14(19)17(22-2)18(23-3)16(13)20/h4-5,7-8,11,19-20H,6,9H2,1-3H3/t11-/m0/s1
• Isomere SMILES: COC1=CC2=C(C[C@@H](CO2)C3=CC(=C(C(=C3O)OC)OC)O)C=C1
• MeSH-Eintrag: 2',5'-dihydroxy-7,3',4'-trimethoxyisoflavan;colutehydroquinone
• Molekulargewicht: 332.35

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Klasse Isoflavonoids
      • Subclass O-methylated isoflavonoids
        • Ebene5 4'-O-methylated isoflavonoids
          • Ebene6 3'-hydroxy,4'-methoxyisoflavonoids

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Klasse: Isoflavonoids
• Subclass: O-methylated isoflavonoids
• Intermediate Tree Nodes: 4'-O-methylated isoflavonoids
• Direct Parent: 3'-hydroxy,4'-methoxyisoflavonoids
• Alternative Parents: 7-O-methylated isoflavonoids 3'-O-methylated isoflavonoids Isoflavanols Hydroxyisoflavonoids Ubiquinols Methoxyphenols Dimethoxybenzenes 1-benzopyrans Phenoxy compounds Hydroquinones Anisoles Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Oxacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 3'-hydroxy,4'-methoxyisoflavonoid - 3p-methoxyisoflavonoid-skeleton - 7-methoxyisoflavonoid-skeleton - Isoflavanol - Hydroxyisoflavonoid - Isoflavan - Ubiquinol skeleton - Chromane - Benzopyran - Methoxyphenol - 1-benzopyran - Dimethoxybenzene - O-dimethoxybenzene - Methoxybenzene - Anisole - Phenol ether - Phenoxy compound - Hydroquinone - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Ether - Oxacycle - Organoheterocyclic compound - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as 3'-hydroxy,4'-methoxyisoflavonoids. These are isoflavonoids carrying a methoxy group attached to the C4' atom, as well as a hydroxyl group at the C3'-position of the isoflavonoid backbone.
• 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

• Empfindlichkeit: Moisture sensitive；Light sensitive
• Molekulargewicht: 332.300 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 332.126 Da
• Monoisotopic Mass: 332.126 Da
• Topological Polar Surface Area: 77.400 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 405.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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