L-eritroesfingosina - ≥98% , CAS No.6036-75-5

CAS: 6036-75-5 Cat. No.: L275688 Peso molecular: 299.49

GRADE & PURITY ≥98%

Synonyms

Q27104581 | rel-(2R,3S,4E)-2-amino-4-octadeceno-1,3-diol | SCHEMBL17083789 | (2R,3S)-2-aminooctadec-4-eno-1,3-diol | 4-Octadeceno-1,3-diol, 2-amino-, (S-(R*,S*-(E)))- | 4-Octadeceno-1,3-diol, 2-amino-, (2R,3S,4E)- | (+)-eritroesfingosina | (2R,3S,4E)-2-

Storage

Conservar a -20°C,Desecado

Shipped In

Hielera + almohadillas de hielo

Descripción general

Almacenar a -20°C. Almacenar en condiciones de desecación. El producto puede almacenarse hasta 12 meses.

Specifications

Sinónimos

Q27104581 | rel-(2R, 3S, 4E)-2-amino-4-octadeceno-1, 3-diol | SCHEMBL17083789 | (2R, 3S)-2-aminooctadec-4-eno-1, 3-diol | 4-Octadeceno-1, 3-diol, 2-amino-, (S-(R*, S*-(E)))- | 4-Octadeceno-1, 3-diol, 2-amino-, (2R, 3S, 4E)- | (+)-eritroesfingosina | (2R, 3S, 4E)-2-

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Conservar a -20°C, Desecado

Enviado en

Hielera + almohadillas de hielo

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CCCCCCCCCCCCCC=CC(C(CO)N)O
• IUPAC Name: (E,2R,3S)-2-aminooctadec-4-ene-1,3-diol
• InChIKey: WWUZIQQURGPMPG-MCXRAWCPSA-N
• INCHI: 1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h14-15,17-18,20-21H,2-13,16,19H2,1H3/b15-14+/t17-,18+/m1/s1
• Isómeros SMILES: CCCCCCCCCCCCC/C=C/[C@@H]([C@@H](CO)N)O
• Peso molecular: 299.49
• Reaxy-Rn: 8132315
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8132315&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Clase Organonitrogen compounds
      • Subclass Amines
        • Level5 Alkanolamines
          • Level6 1,2-aminoalcohols

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Alkanolamines
• Direct Parent: 1,2-aminoalcohols
• Alternative Parents: Secondary alcohols Primary alcohols Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Secondary alcohol - 1,2-aminoalcohol - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Primary alcohol - Organooxygen compound - Primary aliphatic amine - Alcohol - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 1,2-aminoalcohols. These are organic compounds containing an alkyl chain with an amine group bound to the C1 atom and an alcohol group bound to the C2 atom.
• External Descriptors: (2R,3S)-2-aminooctadec-4-ene-1,3-diol

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

• Solubilidad: Soluble in ethanol and in DMSO
• Peso molecular: 299.500 g/mol
• XLogP3: 5.300
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 15
• Exact Mass: 299.282 Da
• Monoisotopic Mass: 299.282 Da
• Topological Polar Surface Area: 66.500 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 231.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1