2,6-Di-O-palmitoyl-L-ascorbic Acid - ≥97%(T) , CAS No.4218-81-9

CAS: 4218-81-9 Cat. No.: D155456 Summenformel: C₃₈H₆₈O₈ Molekulargewicht: 652.95

GRADE & PURITY ≥97%(T)

Synonyms

ascorbic acid dipalmitate | (5S)-5-[2-(Hexadecanoyloxy)-1-hydroxyethyl]-4-hydroxy-2-oxo-2,5-dihydrofuran-3-yl hexadecanoate (non-preferred name) | 2,6-Di-O-palmitoyl-L-ascorbic Acid | AKOS028109783 | l-(+)-Ascorbic acid 2,6-dihexadecanoate | ASCORBYL DIPA

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

ascorbic acid dipalmitate | (5S)-5-[2-(Hexadecanoyloxy)-1-hydroxyethyl]-4-hydroxy-2-oxo-2,5-dihydrofuran-3-yl hexadecanoate (non-preferred name) | 2,6-Di-O-palmitoyl-L-ascorbic Acid | AKOS028109783 | l-(+)-Ascorbic acid 2,6-dihexadecanoate | ASCORBYL DIPA

Spezifikationen & Reinheit

≥97%(T)

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%(T)

Namen und Kennungen

Kanonisches Lächeln

CCCCCCCCCCCCCCCC(=O)OCC(C1C(=C(C(=O)O1)OC(=O)CCCCCCCCCCCCCCC)O)O

IUPAC Name

[(2S)-2-[(2R)-4-hexadecanoyloxy-3-hydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] hexadecanoate

InChIKey

TUYRNAGGIJZRNM-LBHUVFDKSA-N

INCHI

1S/C38H68O8/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(40)44-31-32(39)36-35(42)37(38(43)46-36)45-34(41)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h32,36,39,42H,3-31H2,1-2H3/t32-,36+/m0/s1

Isomere SMILES

CCCCCCCCCCCCCCCC(=O)OC[C@@H]([C@@H]1C(=C(C(=O)O1)OC(=O)CCCCCCCCCCCCCCC)O)O

Molekulargewicht

652.95

Reaxy-Rn

1337169

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1337169&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Carboxylic acids and derivatives
      • Subclass Tricarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Carboxylic acids and derivatives
• Subclass: Tricarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Tricarboxylic acids and derivatives
• Alternative Parents: Fatty acid esters Butenolides Vinylogous acids Enoate esters Secondary alcohols Lactones Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Tricarboxylic acid or derivatives - Fatty acid ester - 2-furanone - Fatty acyl - Vinylogous acid - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Dihydrofuran - Secondary alcohol - Lactone - Carboxylic acid ester - Organoheterocyclic compound - Oxacycle - Organic oxide - Organooxygen compound - Organic oxygen compound - Carbonyl group - Alcohol - Hydrocarbon derivative - Aliphatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups.
• 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Spezifische Drehung [α]: 21.5° (C=0.8,EtOH)
• Schmelzpunkt (°C): 113 °C
• Molekulargewicht: 652.900 g/mol
• XLogP3: 14.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 34
• Exact Mass: 652.491 Da
• Monoisotopic Mass: 652.491 Da
• Topological Polar Surface Area: 119.000 Ų
• Heavy Atom Count: 46
• Formal Charge: 0
• Complexity: 824.000
• 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

Häufig gestellte Fragen

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 4218-81-9, the molecular formula is C38H68O8, and the molecular weight is 652.95 g/mol. InChIKey TUYRNAGGIJZRNM-LBHUVFDKSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.