Glyceryl tripalmitoleate , CAS No.20246-55-3

CAS: 20246-55-3 Cat. No.: G352341 Formula: C₅₁H₉₂O₆ Peso molecolare: 801.27

Synonyms

9-Hexadecenoic acid, 1,1',1''-(1,2,3-propanetriyl) ester, (9Z,9'Z,9''Z)- | CHEBI:75841 | FT-0637922 | 1,2,3-tri-(9Z)-hexadecenoylglycerol | Glyceryl tripalmitoleate, >=98%, liquid | tripalmitoleoin | AKOS040754631 | Tripalmitolein [INCI] | 1,2,3-propanetr

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifiche

Sinonimi

9-Hexadecenoic acid, 1,1',1''-(1,2,3-propanetriyl) ester, (9Z,9'Z,9''Z)- | CHEBI:75841 | FT-0637922 | 1,2,3-tri-(9Z)-hexadecenoylglycerol | Glyceryl tripalmitoleate, >=98%, liquid | tripalmitoleoin | AKOS040754631 | Tripalmitolein [INCI] | 1,2,3-propanetr

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Nomi e identificatori

Sorrisi canonici

CCCCCCC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCCCCCC)OC(=O)CCCCCCCC=CCCCCCC

IUPAC Name

2,3-bis[[(Z)-hexadec-9-enoyl]oxy]propyl (Z)-hexadec-9-enoate

InChIKey

SKGWNZXOCSYJQL-BUTYCLJRSA-N

INCHI

1S/C51H92O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-49(52)55-46-48(57-51(54)45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h19-24,48H,4-18,25-47H2,1-3H3/b22-19-,23-20-,24-21-

Isomeri SMILES

CCCCCC/C=C\CCCCCCCC(=O)OCC(OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCC/C=C\CCCCCC

WGK Germania

3

Peso molecolare

801.27

Reaxy-Rn

7325592

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7325592&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Glycerolipids
      • Subclass Triradylcglycerols

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Glycerolipids
• Subclass: Triradylcglycerols
• Intermediate Tree Nodes: Not available
• Direct Parent: Triacylglycerols
• Alternative Parents: Tricarboxylic acids and derivatives Fatty acid esters Carboxylic acid esters Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Triacyl-sn-glycerol - Tricarboxylic acid or derivatives - Fatty acid ester - Fatty acyl - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as triacylglycerols. These are glycerides consisting of three fatty acid chains covalently bonded to a glycerol molecule through ester linkages.
• External Descriptors: Triacylglycerols

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

Proprietà chimiche e fisiche

• Peso molecolare: 801.300 g/mol
• XLogP3: 19.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 47
• Exact Mass: 800.689 Da
• Monoisotopic Mass: 800.689 Da
• Topological Polar Surface Area: 78.900 Ų
• Heavy Atom Count: 57
• Formal Charge: 0
• Complexity: 917.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 3
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 3
• Covalently-Bonded Unit Count: 1