GRADE & PURITY ≥98%

Synonyms

Q27104581 | rel-(2R,3S,4E)-2-Amino-4-octadecene-1,3-diol | SCHEMBL17083789 | (2R,3S)-2-aminooctadec-4-ene-1,3-diol | 4-Octadecene-1,3-diol, 2-amino-, (S-(R*,S*-(E)))- | 4-Octadecene-1,3-diol, 2-amino-, (2R,3S,4E)- | (+)-erythro-sphingosine | (2R,3S,4E)-2-

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Overview

Store at -20°C. Store under desiccating conditions. The product can be stored for up to 12 months.

Specifications

Synonyms

Q27104581 | rel-(2R, 3S, 4E)-2-Amino-4-octadecene-1, 3-diol | SCHEMBL17083789 | (2R, 3S)-2-aminooctadec-4-ene-1, 3-diol | 4-Octadecene-1, 3-diol, 2-amino-, (S-(R*, S*-(E)))- | 4-Octadecene-1, 3-diol, 2-amino-, (2R, 3S, 4E)- | (+)-erythro-sphingosine | (2R, 3S, 4E)-2-

Specifications & Purity

≥98%

Storage

Store at -20°C, Desiccated

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: 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
• Isomeric SMILES: CCCCCCCCCCCCC/C=C/[C@@H]([C@@H](CO)N)O
• Molecular Weight: 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
    • Class Organonitrogen compounds
      • Subclass Amines
        • Level5 Alkanolamines
          • Level6 1,2-aminoalcohols

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• Solubility: Soluble in ethanol and in DMSO
• Molecular Weight: 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