Pyridoxine dipalmitate - ≥98% , CAS No.635-38-1

CAS: 635-38-1 Cat. No.: P341858 Peso molecular: 645.99 Número EC: 643-096-5 PubChem CID: 17897875

GRADE & PURITY ≥98%

Synonyms

[4-(hexadecanoyloxymethyl)-5-hydroxy-6-methylpyridin-3-yl]methyl hexadecanoate | VITAMINB6DIPALMITATE | {5-[(HEXADECANOYLOXY)METHYL]-3-HYDROXY-2-METHYLPYRIDIN-4-YL}METHYL HEXADECANOATE | Palmitic acid, diester with 5-hydroxy-6-methylpyridine-3,4-dimethano

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Sinónimos

[4-(hexadecanoyloxymethyl)-5-hydroxy-6-methylpyridin-3-yl]methyl hexadecanoate | VITAMINB6DIPALMITATE | {5-[(HEXADECANOYLOXY)METHYL]-3-HYDROXY-2-METHYLPYRIDIN-4-YL}METHYL HEXADECANOATE | Palmitic acid, diester with 5-hydroxy-6-methylpyridine-3, 4-dimethano

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488199566
• Sonrisas canónicas: CCCCCCCCCCCCCCCC(=O)OCC1=CN=C(C(=C1COC(=O)CCCCCCCCCCCCCCC)O)C
• IUPAC Name: [4-(hexadecanoyloxymethyl)-5-hydroxy-6-methylpyridin-3-yl]methyl hexadecanoate
• InChIKey: RCYWWJBNPIWJMJ-UHFFFAOYSA-N
• INCHI: 1S/C40H71NO5/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-38(42)45-33-36-32-41-35(3)40(44)37(36)34-46-39(43)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h32,44H,4-31,33-34H2,1-3H3
• Isómeros SMILES: CCCCCCCCCCCCCCCC(=O)OCC1=CN=C(C(=C1COC(=O)CCCCCCCCCCCCCCC)O)C
• PubChem CID: 17897875
• Peso molecular: 645.99

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyridines and derivatives
      • Subclass Pyridoxines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Pyridoxines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridoxines
• Alternative Parents: Methylpyridines Hydroxypyridines Fatty acid esters Dicarboxylic acids and derivatives Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridoxine - Fatty acid ester - Hydroxypyridine - Methylpyridine - Dicarboxylic acid or derivatives - Fatty acyl - Heteroaromatic compound - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyridoxines. These are pyridoxal derivatives in which the carbaldehyde group at position 2 of the pyridoxal moiety is replaced by a hydroxymethyl group.
• 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

Propiedades químicas y físicas

• Sensibilidad: Light sensitive
• Peso molecular: 646.000 g/mol
• XLogP3: 14.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 34
• Exact Mass: 645.533 Da
• Monoisotopic Mass: 645.533 Da
• Topological Polar Surface Area: 85.700 Ų
• Heavy Atom Count: 46
• Formal Charge: 0
• Complexity: 701.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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