GRADE & PURITY ≥98%

Synonyms

1,3,4,6-Tetra-O-acetyl-beta-D-fructofuranosyl-alpha-D-glucopyrano- side tetraacetate | AI3-00071 | NSC-1695 | SUCROSE OCTA-ACETATE [WHO-DD] | 5-17-08-00410 (Beilstein Handbook Reference) | D-(+)-Sucrose octaacetate, analytical standard | 1,3,4,6-Tetra-O-a

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

1, 3, 4, 6-Tetra-O-acetyl-beta-D-fructofuranosyl-alpha-D-glucopyrano- side tetraacetate | AI3-00071 | NSC-1695 | SUCROSE OCTA-ACETATE [WHO-DD] | 5-17-08-00410 (Beilstein Handbook Reference) | D-(+)-Sucrose octaacetate, analytical standard | 1, 3, 4, 6-Tetra-O-a

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488183165
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183165
• Sonrisas canónicas: CC(=O)OCC1C(C(C(C(O1)OC2(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
• IUPAC Name: [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(2S,3S,4R,5R)-3,4-diacetyloxy-2,5-bis(acetyloxymethyl)oxolan-2-yl]oxyoxan-2-yl]methyl acetate
• InChIKey: ZIJKGAXBCRWEOL-SAXBRCJISA-N
• INCHI: 1S/C28H38O19/c1-12(29)37-9-20-22(40-15(4)32)24(42-17(6)34)25(43-18(7)35)27(45-20)47-28(11-39-14(3)31)26(44-19(8)36)23(41-16(5)33)21(46-28)10-38-13(2)30/h20-27H,9-11H2,1-8H3/t20-,21-,22-,23-,24+,25-,26+,27-,28+/m1/s1
• Isómeros SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
• WGK Alemania: 2
• RTECS: WN6620000
• PubChem CID: 31340
• Peso molecular: 678.59
• Beilstein: 79290
• Reaxy-Rn: 79290

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Glycosyl compounds
          • Level6 O-glycosyl compounds

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Glycosyl compounds
• Direct Parent: O-glycosyl compounds
• Alternative Parents: Disaccharides C-glycosyl compounds Ketals Oxanes Tetrahydrofurans Carboxylic acid esters Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: O-glycosyl compound - Disaccharide - C-glycosyl compound - Ketal - Oxane - Tetrahydrofuran - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Acetal - Organic oxide - Hydrocarbon derivative - Carbonyl group - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond.
• 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

Objetivos asociados (no humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Hygroscopic
• Rotación específica [α]: 60° (C=2,EtOH)
• Punto de fusión (°C): 86 °C
• Peso molecular: 678.600 g/mol
• XLogP3: -0.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 19
• Rotatable Bond Count: 21
• Exact Mass: 678.201 Da
• Monoisotopic Mass: 678.201 Da
• Topological Polar Surface Area: 238.000 Ų
• Heavy Atom Count: 47
• Formal Charge: 0
• Complexity: 1210.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 9
• 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

Referencias

1. Xiu-Xian Guo, Zi-Lin He, Jing-Hua Chen, Jian-Bin Luo, Jun-Hua Wei, Qing-Peng Peng, Dai-Bin Kuang.  (2025)  Tailoring the Emission Properties of Cs2NaLuCl6 for Anti-Counterfeiting, X-Ray Scintillation, and Night Vision Applications.  Advanced Optical Materials,  13  (9): (2402845).  [PMID:] [10.1002/adom.202402845]