D-Erythronolactone - ≥98%(GC) , CAS No.15667-21-7

CAS: 15667-21-7 Cat. No.: D130853 分子式: C₄H₆O₄ 分子量: 118.09 Beilstein Registry Number: 81073

GRADE & PURITY ≥98%(GC)

Synonyms

3,4-Dihydroxyoxolan-2-onato(3-) | MFCD00077763 | s11960 | Sedotussin (TN) | Q27159785 | SCHEMBL818248 | Carbamazepine10,11-Epoxide | Rel-(3R,4R)-3,4-dihydroxydihydrofuran-2(3H)-one | Erythronic acid g-lactone | d-erythrono-1,4-lactone | erythrono-1,4-lact

Storage

Room temperature

Shipped In

Normal

概要

Purity > 97%
A chiral synthon used to create analogs of certain natural products.

Specifications

同義語

3,4-Dihydroxyoxolan-2-onato(3-) | MFCD00077763 | s11960 | Sedotussin (TN) | Q27159785 | SCHEMBL818248 | Carbamazepine10,11-Epoxide | Rel-(3R,4R)-3,4-dihydroxydihydrofuran-2(3H)-one | Erythronic acid g-lactone | d-erythrono-1,4-lactone | erythrono-1,4-lact

仕様と純度

≥98%(GC)

保管条件

Room temperature

入荷

Normal

純度

≥98%(GC)

名前と識別子

• パブケム・シド: 504763621
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504763621
• カノニカル・スマイル: C1C(C(C(=O)O1)O)O
• IUPAC Name: (3R,4R)-3,4-dihydroxyoxolan-2-one
• InChIKey: SGMJBNSHAZVGMC-PWNYCUMCSA-N
• INCHI: 1S/C4H6O4/c5-2-1-8-4(7)3(2)6/h2-3,5-6H,1H2/t2-,3-/m1/s1
• 異性体SMILES: C1[C@H]([C@H](C(=O)O1)O)O
• WGKドイツ: 3
• 分子量: 118.09
• Beilstein: 81073
• Reaxy-Rn: 1281539
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1281539&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Lactones
      • Subclass Gamma butyrolactones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Lactones
• Subclass: Gamma butyrolactones
• Intermediate Tree Nodes: Not available
• Direct Parent: Gamma butyrolactones
• Alternative Parents: Tetrahydrofurans Secondary alcohols Carboxylic acid esters 1,2-diols Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Gamma butyrolactone - Tetrahydrofuran - Secondary alcohol - Carboxylic acid ester - 1,2-diol - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as gamma butyrolactones. These are compounds containing a gamma butyrolactone moiety, which consists of an aliphatic five-member ring with four carbon atoms, one oxygen atom, and bears a ketone group on the carbon adjacent to the oxygen atom.
• 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）

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Leishmania donovani (89745 Activities)

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Trypanosoma cruzi (99888 Activities)

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作用メカニズム

化学的性質と物理的性質

• 溶解度: Soluble in water, and methanol.
• 比旋光度［α］: -71° (C=1,H2O)
• 融点（°C）: 103 °C
• 分子量: 118.090 g/mol
• XLogP3: -1.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 118.027 Da
• Monoisotopic Mass: 118.027 Da
• Topological Polar Surface Area: 66.800 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 111.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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. Shuqi Wang, Yingshuang Hui, Yulu Zhan, Lou Gao, Yahong Zhang, Yi Tang.  (2023)  Sugars as Emerging Hydrogen Donors in the Synthesis of Alditol via Catalytic Transfer Hydrogenation.  ChemCatChem,  15  (18): (e202300213).  [PMID:] [10.1002/cctc.202300213]