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

CAS: 15667-21-7 Cat. No.: D130853 분자식: C₄H₆O₄ 분자량: 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

개요

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

Specifications

동의어

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

사양 및 순도

≥98%(GC)

보관 조건

Room temperature

배송

Normal

순수함

≥98%(GC)

이름과 식별자

• Pubchem Sid: 504763621
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763621
• 정식 스마일: 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
• 이성체 SMILES: C1[C@H]([C@H](C(=O)O1)O)O
• WGK 독일: 3
• 분자량: 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
    • 분류 Lactones
      • Subclass Gamma butyrolactones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: 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
• 설명: 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

관련 대상(비인간)

Trypanosoma brucei (78846 Activities)

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Plasmodium falciparum (966862 Activities)

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Leishmania donovani (89745 Activities)

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Trypanosoma cruzi (99888 Activities)

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작용 메커니즘

화학 및 물리적 특성

• 용해성: Soluble in water, and methanol.
• 특정 회전[α]: -71° (C=1,H2O)
• 녹는점(°C): 103 °C
• 분자량: 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

참고 문헌

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]