β-D-(+)-Glucose pentaacetate - 10mM in DMSO , CAS No.604-69-3

CAS: 604-69-3 Cat. No.: D425016 分子式: C₁₆H₂₂O₁₁ 分子量: 390.34 Beilstein Registry Number: 98851 EC番号: 210-074-8

GRADE & PURITY 10mM in DMSO

Synonyms

1,2,3,4,6-Penta-O-acetylglucopyranose, .beta.-D- | PER-O-ACETYL-.BETA.-D-GLUCOPYRANOSE | (2S,3R,4S,5R,6R)-6-(acetoxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetrayl tetraacetate | C16H22O11 | Glucopyranose, pentaacetate, .beta.-D- | 2,3,4,6-TETRA-O-ACETYL-.BETA

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

同義語

1,2,3,4,6-Penta-O-acetylglucopyranose, .beta.-D- | PER-O-ACETYL-.BETA.-D-GLUCOPYRANOSE | (2S,3R,4S,5R,6R)-6-(acetoxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetrayl tetraacetate | C16H22O11 | Glucopyranose, pentaacetate, .beta.-D- | 2,3,4,6-TETRA-O-ACETYL-.BETA

仕様と純度

10mM in DMSO

保管条件

Store at -80°C

入荷

Dry ice packs + Cold packs

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。

名前と識別子

• パブケム・シド: 528768829
• カノニカル・スマイル: CC(=O)OCC1C(C(C(C(O1)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
• IUPAC Name: [(2R,3R,4S,5R,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate
• InChIKey: LPTITAGPBXDDGR-IBEHDNSVSA-N
• INCHI: 1S/C16H22O11/c1-7(17)22-6-12-13(23-8(2)18)14(24-9(3)19)15(25-10(4)20)16(27-12)26-11(5)21/h12-16H,6H2,1-5H3/t12-,13-,14+,15-,16-/m1/s1
• 異性体SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
• WGKドイツ: 3
• 分子量: 390.34
• Beilstein: 98851
• Reaxy-Rn: 21510288
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21510288&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 分類 Carboxylic acids and derivatives
      • Subclass Pentacarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 分類: Carboxylic acids and derivatives
• Subclass: Pentacarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pentacarboxylic acids and derivatives
• Alternative Parents: Oxanes Monosaccharides Carboxylic acid esters Oxacyclic compounds Acetals Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Pentacarboxylic acid or derivatives - Oxane - Monosaccharide - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Acetal - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as pentacarboxylic acids and derivatives. These are carboxylic acids containing exactly five carboxyl groups.
• 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（人間）

MCF7 (126967 Activities)

Explore this target

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

A549 (127892 Activities)

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

関連ターゲット（非人間）

3T3-L1 (3664 Activities)

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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

• 感度: Moisture sensitive
• 比旋光度［α］: 4.5 ° (C=5, CHCl3)
• 融点（°C）: 132°C
• 分子量: 390.340 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 11
• Exact Mass: 390.116 Da
• Monoisotopic Mass: 390.116 Da
• Topological Polar Surface Area: 141.000 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 599.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 5
• 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. Qiying Liu, Haiyong Wang, Haosheng Xin, Chenguang Wang, Long Yan, Yingxiong Wang, Qi Zhang, Xinghua Zhang, Ying Xu, George W. Huber, Longlong Ma.  (2019)  Selective Cellulose Hydrogenolysis to Ethanol Using Ni@C Combined with Phosphoric Acid Catalysts.  ChemSusChem,  12  (17): (3977-3987).  [PMID:31225696] [10.1002/cssc.201901110]

2. Chaochao Wang, Lichao Liu, Hongliang Cao, Weian Zhang.  (2016)  Intracellular GSH-activated galactoside photosensitizers for targeted photodynamic therapy and chemotherapy.  Biomaterials Science,  5  (2): (274-284).  [PMID:27942618] [10.1039/C6BM00482B]