Acetobromocellobiose - Reagent grade , CAS No.14227-66-8

CAS: 14227-66-8 Cat. No.: D130849 Formula: C₂₆H₃₅BrO₁₇ Peso molecolare: 699.45

GRADE & PURITY Reagent Grade

Synonyms

Cel Br heptaacetate | 2,3,6-Tri-O-acetyl-4-O-(2,3,4,6-tetra-O-acetylhexopyranosyl)hexopyranosyl bromide | alpha-D-Glucopyranosyl bromide, 4-O-(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)-, triacetate | (2R,3R,4S,5R,6S)-2-(acetoxymethyl)-6-((2R,3R,4S,5R,

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Sinonimi

Cel Br heptaacetate | 2,3,6-Tri-O-acetyl-4-O-(2,3,4,6-tetra-O-acetylhexopyranosyl)hexopyranosyl bromide | alpha-D-Glucopyranosyl bromide, 4-O-(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)-, triacetate | (2R,3R,4S,5R,6S)-2-(acetoxymethyl)-6-((2R,3R,4S,5R,

Specifiche e purezza

Reagent grade

Condizioni di conservazione di stoccaggio

Store at -20°C,Argon charged

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Grado

Reagent Grade

Nomi e identificatori

• Pubchem Sid: 528769432
• Sorrisi canonici: CC(=O)OCC1C(C(C(C(O1)OC2C(OC(C(C2OC(=O)C)OC(=O)C)Br)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
• IUPAC Name: [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[(2R,3R,4S,5R,6R)-4,5-diacetyloxy-2-(acetyloxymethyl)-6-bromooxan-3-yl]oxyoxan-2-yl]methyl acetate
• InChIKey: NLFHLQWXGDPOME-VRECAULFSA-N
• INCHI: 1S/C26H35BrO17/c1-10(28)35-8-17-20(21(38-13(4)31)23(25(27)42-17)40-15(6)33)44-26-24(41-16(7)34)22(39-14(5)32)19(37-12(3)30)18(43-26)9-36-11(2)29/h17-26H,8-9H2,1-7H3/t17-,18-,19-,20-,21+,22+,23-,24-,25+,26+/m1/s1
• Isomeri SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2OC(=O)C)OC(=O)C)Br)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
• Peso molecolare: 699.45
• Reaxy-Rn: 43504551
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=43504551&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Glycosyl compounds
• Direct Parent: O-glycosyl compounds
• Alternative Parents: Disaccharides Oxanes Carboxylic acid esters Oxacyclic compounds Dialkyl ethers Acetals Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Disaccharide - O-glycosyl compound - Oxane - Carboxylic acid ester - Acetal - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Organoheterocyclic compound - Alkyl bromide - Organic oxide - Hydrocarbon derivative - Alkyl halide - Carbonyl group - Organohalogen compound - Organobromide - Aliphatic heteromonocyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Solubilità: Soluble in water. Slightly soluble in ethanol
• Sensibilità: Hygroscopic
• Peso molecolare: 699.400 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 17
• Rotatable Bond Count: 18
• Exact Mass: 698.106 Da
• Monoisotopic Mass: 698.106 Da
• Topological Polar Surface Area: 212.000 Ų
• Heavy Atom Count: 44
• Formal Charge: 0
• Complexity: 1090.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 10
• 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