2,3-Bis(hexadecyloxy)propan-1-ol , CAS No.13071-60-8

CAS: 13071-60-8 Cat. No.: B1072998 Peso molecular: 540.96 PubChem CID: 102548

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

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

Nombres e identificadores

• Sonrisas canónicas: CCCCCCCCCCCCCCCCOCC(CO)OCCCCCCCCCCCCCCCC
• IUPAC Name: 2,3-dihexadecoxypropan-1-ol
• InChIKey: YQDJMFFVPVZWNK-UHFFFAOYSA-N
• INCHI: 1S/C35H72O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-37-34-35(33-36)38-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-36H,3-34H2,1-2H3
• Isómeros SMILES: CCCCCCCCCCCCCCCCOCC(CO)OCCCCCCCCCCCCCCCC
• PubChem CID: 102548
• Peso molecular: 540.96

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Glycerolipids
      • Subclass Diradylglycerols

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Glycerolipids
• Subclass: Diradylglycerols
• Intermediate Tree Nodes: Not available
• Direct Parent: Dialkylglycerols
• Alternative Parents: Glycerol ethers Dialkyl ethers Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dialkylglycerol - Glycerol ether - Ether - Dialkyl ether - 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 dialkylglycerols. These are glycerides consisting of two fatty acid chains covalently bonded to a glycerol molecule through ether linkages.
• 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

• Peso molecular: 540.900 g/mol
• XLogP3: 14.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 34
• Exact Mass: 540.548 Da
• Monoisotopic Mass: 540.548 Da
• Topological Polar Surface Area: 38.700 Ų
• Heavy Atom Count: 38
• Formal Charge: 0
• Complexity: 401.000
• 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