Tocophersolan - D-α-tocopherol ≥ 26.0% , CAS No.30999-06-5

CAS: 30999-06-5 Cat. No.: T1357227 分子式: C₃₅H₅₈O₆ 分子量: 574.8

グレード＆純度 D-α-tocopherol ≥ 26.0%

Storage

Room temperature

Shipped In

Normal

仕様

仕様と純度

D-α-tocopherol ≥ 26.0%

保管条件

Room temperature

入荷

Normal

名前と識別子

カノニカル・スマイル

CC1=C(C(=C(C2=C1OC(CC2)(C)CCCC(C)CCCC(C)CCCC(C)C)C)OC(=O)CCC(=O)OCCO)C

IUPAC Name

1-O-(2-hydroxyethyl) 4-O-[2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] butanedioate

InChIKey

AOBORMOPSGHCAX-UHFFFAOYSA-N

INCHI

1S/C35H58O6/c1-24(2)12-9-13-25(3)14-10-15-26(4)16-11-20-35(8)21-19-30-29(7)33(27(5)28(6)34(30)41-35)40-32(38)18-17-31(37)39-23-22-36/h24-26,36H,9-23H2,1-8H3

分子量

574.8

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • 分類 Prenol lipids
      • Subclass Quinone and hydroquinone lipids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: Prenol lipids
• Subclass: Quinone and hydroquinone lipids
• Intermediate Tree Nodes: Not available
• Direct Parent: Vitamin E compounds
• Alternative Parents: Diterpenoids 1-benzopyrans Fatty acid esters Alkyl aryl ethers Dicarboxylic acids and derivatives Benzenoids Carboxylic acid esters Oxacyclic compounds Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Diterpenoid - Chromane - Benzopyran - 1-benzopyran - Alkyl aryl ether - Fatty acid ester - Fatty acyl - Dicarboxylic acid or derivatives - Benzenoid - Carboxylic acid ester - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Ether - Organic oxygen compound - Alcohol - Carbonyl group - Hydrocarbon derivative - Primary alcohol - Organic oxide - Organooxygen compound - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as vitamin e compounds. These are a group of fat-soluble compounds containing or derived either from a tocopherol or a tocotrienol skeleton.
• 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

化学的性質と物理的性質

• 分子量: 574.800 g/mol
• XLogP3: 9.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 20
• Exact Mass: 574.423 Da
• Monoisotopic Mass: 574.423 Da
• Topological Polar Surface Area: 82.100 Ų
• Heavy Atom Count: 41
• Formal Charge: 0
• Complexity: 768.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 3
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

よくある質問

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 30999-06-5, the molecular formula is C35H58O6, and the molecular weight is 574.8 g/mol. InChIKey AOBORMOPSGHCAX-UHFFFAOYSA-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.