Glycerophosphorylethanolamine - ≥95% , CAS No.1190-00-7

CAS: 1190-00-7 Cat. No.: G1067624 Molecular Weight: 215.14 PubChem CID: 123874

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Specifications & Purity

≥95%

Storage

Room temperature

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C(COP(=O)(O)OCC(CO)O)N
• IUPAC Name: 2-aminoethyl 2,3-dihydroxypropyl hydrogen phosphate
• InChIKey: JZNWSCPGTDBMEW-UHFFFAOYSA-N
• INCHI: 1S/C5H14NO6P/c6-1-2-11-13(9,10)12-4-5(8)3-7/h5,7-8H,1-4,6H2,(H,9,10)
• Isomeric SMILES: C(COP(=O)(O)OCC(CO)O)N
• PubChem CID: 123874
• Molecular Weight: 215.14

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Glycerophospholipids
      • Subclass Glycerophosphoethanolamines

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Glycerophospholipids
• Subclass: Glycerophosphoethanolamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Glycerophosphoethanolamines
• Alternative Parents: Phosphoethanolamines Dialkyl phosphates Secondary alcohols 1,2-diols Primary alcohols Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Sn-glycero-3-phosphoethanolamine - Phosphoethanolamine - Dialkyl phosphate - Organic phosphoric acid derivative - Phosphoric acid ester - Alkyl phosphate - Secondary alcohol - 1,2-diol - Primary amine - Primary alcohol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Primary aliphatic amine - Organic nitrogen compound - Amine - Organopnictogen compound - Alcohol - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as glycerophosphoethanolamines. These are glycerolipids characterized by an ethanolamine ester of glycerophosphoric acid. As is the case with diacylglycerols, glycerophosphoethanolamines can have many different combinations of fatty acids of varying lengths and saturation attached to the C-1 and C-2 atoms.
• External Descriptors: sn-glycerol 3-phosphates - phosphoethanolamine

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

• Molecular Weight: 215.140 g/mol
• XLogP3: -5.500
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 215.056 Da
• Monoisotopic Mass: 215.056 Da
• Topological Polar Surface Area: 122.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 176.000
• 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