1,2-dioleoyl-sn-glycero-3-phospho-L-serine (sodium salt)（DOPS） - Moligand™, ≥98% , CAS No.90693-88-2

CAS: 90693-88-2 Cat. No.: D669992 Molecular Weight: 810.02

GRADE & PURITY Moligand™, ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Specifications & Purity

Moligand™, ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Grade

Moligand™

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(C(=O)O)N)OC(=O)CCCCCCCC=CCCCCCCCC.[Na+]
• IUPAC Name: sodium;[(2S)-2-amino-2-carboxyethyl] [(2R)-2,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl] phosphate
• InChIKey: KPHZNDUWYZIXFY-YORIBCANSA-M
• INCHI: 1S/C42H78NO10P.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(44)50-35-38(36-51-54(48,49)52-37-39(43)42(46)47)53-41(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h17-20,38-39H,3-16,21-37,43H2,1-2H3,(H,46,47)(H,48,49);/q;+1/p-1/b19-17-,20-18-;/t38-,39+;/m1./s1
• Isomeric SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@@H](C(=O)O)N)OC(=O)CCCCCCC/C=C\CCCCCCCC.[Na+]
• Alternate CAS: 6811-55-8
• Molecular Weight: 810.02

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Glycerophospholipids
• Subclass: Glycerophosphoserines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phosphatidylserines
• Alternative Parents: L-alpha-amino acids Tricarboxylic acids and derivatives Phosphoethanolamines Fatty acid esters Dialkyl phosphates Carboxylic acid esters Amino acids Carboxylic acids Organic zwitterions Organic sodium salts Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Diacyl-glycerol-3-phosphoserine - Alpha-amino acid - Alpha-amino acid or derivatives - L-alpha-amino acid - Tricarboxylic acid or derivatives - Phosphoethanolamine - Fatty acid ester - Dialkyl phosphate - Organic phosphoric acid derivative - Fatty acyl - Phosphoric acid ester - Alkyl phosphate - Amino acid or derivatives - Amino acid - Carboxylic acid ester - Carboxylic acid derivative - Carboxylic acid - Organic alkali metal salt - Organooxygen compound - Organonitrogen compound - Organic sodium salt - Primary aliphatic amine - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Amine - Organic salt - Organic zwitterion - Primary amine - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as phosphatidylserines. These are glycerophosphoserines in which two fatty acids are bonded to the glycerol moiety through ester 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

Chemical and Physical Properties

• Molecular Weight: 810.000 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 42
• Exact Mass: 809.518 Da
• Monoisotopic Mass: 809.518 Da
• Topological Polar Surface Area: 175.000 Ų
• Heavy Atom Count: 55
• Formal Charge: 0
• Complexity: 1030.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 2

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