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

CAS: 635-38-1 Cat. No.: P341858 Molecular Weight: 645.99 EC Number: 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

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

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Protected from light

Shipped In

Wet ice

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

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488199566
• Canonical Smiles: 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
• Isomeric SMILES: CCCCCCCCCCCCCCCC(=O)OCC1=CN=C(C(=C1COC(=O)CCCCCCCCCCCCCCC)O)C
• PubChem CID: 17897875
• Molecular Weight: 645.99

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• Sensitivity: Light sensitive
• Molecular Weight: 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