Boc-D-Val-OH - ≥98% , CAS No.22838-58-0

CAS: 22838-58-0 Cat. No.: B109110 分子式: C₁₀H₁₉NO₄ 分子量: 217.26 Beilstein Registry Number: 2050408 EC番号: 813-553-5

GRADE & PURITY ≥98%

Synonyms

AS-12729 | (R)-2-TERT-BUTOXYCARBONYLAMINO-3-METHYL-BUTYRIC ACID | HY-41060 | N-(tert-Butoxycarbonyl)-D-valine | (2R)-2-{[(tert-butoxy)carbonyl]amino}-3-methylbutanoic acid | AC-8639 | N-Boc-D-Val-OH | N-[(1,1-dimethylethoxy)carbonyl]-D-Valine | Q-101743 |

Storage

Room temperature

Shipped In

ノーマル

Specifications

同義語

AS-12729 | (R)-2-TERT-BUTOXYCARBONYLAMINO-3-METHYL-BUTYRIC ACID | HY-41060 | N-(tert-Butoxycarbonyl)-D-valine | (2R)-2-{[(tert-butoxy)carbonyl]amino}-3-methylbutanoic acid | AC-8639 | N-Boc-D-Val-OH | N-[(1,1-dimethylethoxy)carbonyl]-D-Valine | Q-101743 |

仕様と純度

≥98%

保管条件

Room temperature

入荷

ノーマル

純度

≥98%

名前と識別子

• パブケム・シド: 488190850
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/488190850
• カノニカル・スマイル: CC(C)C(C(=O)O)NC(=O)OC(C)(C)C
• IUPAC Name: (2R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
• InChIKey: SZXBQTSZISFIAO-SSDOTTSWSA-N
• INCHI: 1S/C10H19NO4/c1-6(2)7(8(12)13)11-9(14)15-10(3,4)5/h6-7H,1-5H3,(H,11,14)(H,12,13)/t7-/m1/s1
• 異性体SMILES: CC(C)[C@H](C(=O)O)NC(=O)OC(C)(C)C
• WGKドイツ: 3
• 分子量: 217.26
• Beilstein: 2050408
• Reaxy-Rn: 1106741
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1106741&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 分類 Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Valine and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 分類: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Valine and derivatives
• Alternative Parents: Methyl-branched fatty acids Carbamate esters Organic carbonic acids and derivatives Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Valine or derivatives - Branched fatty acid - Methyl-branched fatty acid - Fatty acyl - Fatty acid - Carbamic acid ester - Carbonic acid derivative - Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as valine and derivatives. These are compounds containing valine or a derivative thereof resulting from reaction of valine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• 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

関連ターゲット（非人間）

GAP1 General amino-acid permease GAP1 (481 Activities)

Discover Target: GAP1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

作用メカニズム

化学的性質と物理的性質

• 溶解度: Soluble in methanol
• 比旋光度［α］: 6 ° (C=1, AcOH)
• 融点（°C）: 79 °C
• 分子量: 217.260 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 217.131 Da
• Monoisotopic Mass: 217.131 Da
• Topological Polar Surface Area: 75.600 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 242.000
• 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

1. Mingxia Liu, Lixia Chen, Tingting Tian, Zhiguo Zhang, Xiangjun Li.  (2019)  Identification and Quantitation of Enantiomers by Capillary Electrophoresis and Circular Dichroism Independent of Single Enantiomer Standard.  ANALYTICAL CHEMISTRY,      [PMID:31591882] [10.1021/acs.analchem.9b03276]

2. Yanli Zhou, Chunhong Zhang, Rui Ma, Lijia Liu, Hongxing Dong, Toshifumi Satoh, Yoshio Okamoto.  (2019)  Synthesis of helical poly(phenylacetylene) derivatives bearing diastereomeric pendants for enantioseparation by HPLC.  NEW JOURNAL OF CHEMISTRY,  43  (8): (3439-3446).  [PMID:] [10.1039/C8NJ05579C]