ácido 6-O-estearoil-L-ascórbico - ≥95%(T) , CAS No.10605-09-1

CAS: 10605-09-1 Cat. No.: O159941 Peso molecular: 442.59

GRADE & PURITY ≥95%(T)

Synonyms

L-Stearoyl-6-ascorbic Acid | BRD-A87673115-001-01-7 | NSC759841 | 6-O-Stearoyl-L-ascorbic Acid | AKOS005145756 | L-Ascorbyl-6-stearate | L-ASCORBYL 6-OCTADECANOATE | (S)-2-((R)-3,4-dihydroxy-5-oxo-2,5-dihydrofuran-2-yl)-2-hydroxyethyl stearate | 6-Ascorby

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

L-Stearoyl-6-ascorbic Acid | BRD-A87673115-001-01-7 | NSC759841 | 6-O-Stearoyl-L-ascorbic Acid | AKOS005145756 | L-Ascorbyl-6-stearate | L-ASCORBYL 6-OCTADECANOATE | (S)-2-((R)-3, 4-dihydroxy-5-oxo-2, 5-dihydrofuran-2-yl)-2-hydroxyethyl stearate | 6-Ascorby

Especificaciones y pureza

≥95%(T)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%(T)

Nombres e identificadores

• Pubchem Sid: 488201716
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488201716
• Sonrisas canónicas: CCCCCCCCCCCCCCCCCC(=O)OCC(C1C(=C(C(=O)O1)O)O)O
• IUPAC Name: [(2S)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] octadecanoate
• InChIKey: LITUBCVUXPBCGA-WMZHIEFXSA-N
• INCHI: 1S/C24H42O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(26)30-18-19(25)23-21(27)22(28)24(29)31-23/h19,23,25,27-28H,2-18H2,1H3/t19-,23+/m0/s1
• Isómeros SMILES: CCCCCCCCCCCCCCCCCC(=O)OC[C@@H]([C@@H]1C(=C(C(=O)O1)O)O)O
• RTECS: CI7671310
• Peso molecular: 442.59
• Reaxy-Rn: 354832
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=354832&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Fatty Acyls
      • Subclass Fatty acid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Fatty Acyls
• Subclass: Fatty acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty acid esters
• Alternative Parents: Dicarboxylic acids and derivatives Butenolides Vinylogous acids Enoate esters Secondary alcohols Lactones Enediols Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Fatty acid ester - 2-furanone - Dicarboxylic acid or derivatives - Dihydrofuran - Enoate ester - Vinylogous acid - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Enediol - Lactone - Secondary alcohol - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Alcohol - Organic oxygen compound - Organooxygen compound - Carbonyl group - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid.
• 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

Mecanismos de acción

Propiedades químicas y físicas

• Índice de refracción: 21°
• Rotación específica [α]: 21° (C=1,EtOH)
• Punto de fusión (°C): 117 °C
• Peso molecular: 442.600 g/mol
• XLogP3: 7.300
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 20
• Exact Mass: 442.293 Da
• Monoisotopic Mass: 442.293 Da
• Topological Polar Surface Area: 113.000 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 544.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1