D-Pantothenic acid - analytical standard,≥98% , CAS No.79-83-4

CAS: 79-83-4 Cat. No.: P1520561 分子式: C₉H₁₇NO₅ 分子量: 219.24 EC番号: 201-229-0

GRADE & PURITY Analytical standard, Moligand™, ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

仕様と純度

Analytical standard, Moligand™, ≥98%

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

等級

Moligand™, 分析用標準物質

純度

≥98%

名前と識別子

• カノニカル・スマイル: CC(C)(CO)C(C(=O)NCCC(=O)O)O
• IUPAC Name: 3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid
• InChIKey: GHOKWGTUZJEAQD-ZETCQYMHSA-N
• INCHI: 1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)/t7-/m0/s1
• 異性体SMILES: CC(C)(CO)[C@H](C(=O)NCCC(=O)O)O
• 分子量: 219.24

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • 分類 Organooxygen compounds
      • Subclass Alcohols and polyols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 分類: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Not available
• Direct Parent: Secondary alcohols
• Alternative Parents: Propargyl-type 1,3-dipolar organic compounds Polyols Monocarboxylic acids and derivatives Carboxylic acids Carboximidic acids Primary alcohols Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Secondary alcohol - Carboximidic acid - Carboximidic acid derivative - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Polyol - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carbonyl group - Primary alcohol - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as secondary alcohols. These are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl).
• External Descriptors: Water-soluble vitamins

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: 219.230 g/mol
• XLogP3: -1.100
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 219.111 Da
• Monoisotopic Mass: 219.111 Da
• Topological Polar Surface Area: 107.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 239.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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

参考文献

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2. Jiaxuan Guo, Xixi Sun, Yujie Yuan, Qitong Chen, Zutian Ou, Zixin Deng, Tian Ma, Tiangang Liu.  (2023)  Metabolic Engineering of Saccharomyces cerevisiae for Vitamin B5 Production.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:37154424] [10.1021/acs.jafc.3c01082]

3. Bo Zhang, Li Chen, Jie-Yi Jin, Na Zhong, Xue Cai, Shu-Ping Zou, Hai-Yan Zhou, Zhi-Qiang Liu, Yu-Guo Zheng.  (2021)  Strengthening the (R)-pantoate pathway to produce D-pantothenic acid based on systematic metabolic analysis.  Food Bioscience,      [PMID:] [10.1016/j.fbio.2021.101283]

4. Qiqin Wang, Huihui Wu, Kun Peng, Hanying Jin, Huikai Shao, Yuqiang Wang, Jacques Crommen, Zhengjin Jiang.  (2017)  Hydrophilic polymeric monoliths containing choline phosphate for separation science applications.  ANALYTICA CHIMICA ACTA,      [PMID:29254571] [10.1016/j.aca.2017.11.032]

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