β-D-(+)-Glucose pentaacetate - ≥98% , CAS No.604-69-3

CAS: 604-69-3 Cat. No.: G107868 Formula: C₁₆H₂₂O₁₁ Peso molecolare: 390.34 Beilstein Registry Number: 98851 Numero EC: 210-074-8

GRADE & PURITY ≥98%

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

Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinonimi

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

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature,Argon charged

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 504760915
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760915
• Sorrisi canonici: 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
• Isomeri 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 Germania: 3
• Peso molecolare: 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
    • Classe Carboxylic acids and derivatives
      • Subclass Pentacarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: 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
• Descrizione: 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

Obiettivi associati (umani)

MCF7 (126967 Activities)

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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

Obiettivi associati (non umani)

3T3-L1 (3664 Activities)

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Soluble in chloroform and methanol. Insoluble in water.
• Sensibilità: Moisture sensitive
• Rotazione specifica [α]: 4.5 ° (C=5, CHCl3)
• Punto di fusione (°C): 132°C
• Peso molecolare: 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

Riferimenti

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]