(±)-Lavandulol - Moligand™,≥95% , CAS No.58461-27-1

CAS: 58461-27-1 Cat. No.: L1369572 Peso molecular: 154.25 Número EC: 261-264-2

GRADE & PURITY Moligand™, ≥95%

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Descripción general

(±)-Lavandulol is an irregular monoterpene alcohol. (±)-Lavandulol can be transformed by a fungal strain Rhizopus oryzae into corresponding oxygenated metabolite.

Specifications

Especificaciones y pureza

Moligand™, ≥95%

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

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

Grado

Moligand™

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: CC(=CCC(CO)C(=C)C)C
• IUPAC Name: 5-methyl-2-prop-1-en-2-ylhex-4-en-1-ol
• InChIKey: CZVXBFUKBZRMKR-UHFFFAOYSA-N
• INCHI: 1S/C10H18O/c1-8(2)5-6-10(7-11)9(3)4/h5,10-11H,3,6-7H2,1-2,4H3
• Isómeros SMILES: CC(=CCC(CO)C(=C)C)C
• CAS alternativo: 58461-27-1,498-16-8
• Términos de entrada MeSH: 2-isopropenyl-5-methyl-4-hexen-1-ol;4-hexen-1-ol, 5-methyl-2-(1-methylethenyl)-;5-methyl-2-(1-methylethenyl)-4-hexen-1-ol;lavandulol
• Peso molecular: 154.25

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Prenol lipids
      • Subclass Monoterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Prenol lipids
• Subclass: Monoterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Acyclic monoterpenoids
• Alternative Parents: Fatty alcohols Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acyclic monoterpenoid - Fatty alcohol - Fatty acyl - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as acyclic monoterpenoids. These are monoterpenes that do not contain a cycle.
• External Descriptors: primary alcohol - monoterpenoid

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

• Peso molecular: 154.250 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 154.136 Da
• Monoisotopic Mass: 154.136 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 152.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1