Monoacetone glucose - ≥98% , CAS No.18549-40-1

CAS: 18549-40-1 Cat. No.: M107888 Formule: C₉H₁₆O₆ Poids moléculaire: 220.22 Beilstein Registry Number: 82670 Numéro CE: 242-420-9

GRADE & PURITY ≥98%

Synonyms

1,2-O-Isopropylidene-a-d-glucofuranose | Glucofuranose, 1,2-O-isopropylidene-, alpha-D- | (2E)-1,4-dibromobut-2-ene | DS-14843 | EINECS 242-420-9 | .alpha.-D-Glucofuranose, 1,2-O-(1-methylethylidene)- | 1,2-O-Isopropylidene-alpha-D-glucofuranose, 98% | MF

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

1,2-O-Isopropylidene-a-d-glucofuranose | Glucofuranose, 1,2-O-isopropylidene-, alpha-D- | (2E)-1,4-dibromobut-2-ene | DS-14843 | EINECS 242-420-9 | .alpha.-D-Glucofuranose, 1,2-O-(1-methylethylidene)- | 1,2-O-Isopropylidene-alpha-D-glucofuranose, 98% | MF

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

Pubchem Sid

508806946

Sourires canoniques

CC1(OC2C(C(OC2O1)C(CO)O)O)C

IUPAC Name

(1R)-1-[(3aR,5R,6S,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol

InChIKey

BGGCXQKYCBBHAH-OZRXBMAMSA-N

INCHI

1S/C9H16O6/c1-9(2)14-7-5(12)6(4(11)3-10)13-8(7)15-9/h4-8,10-12H,3H2,1-2H3/t4-,5+,6-,7-,8-/m1/s1

Isomères SMILES

CC1(O[C@@H]2[C@H]([C@H](O[C@@H]2O1)[C@@H](CO)O)O)C

WGK Allemagne

3

Poids moléculaire

220.22

Beilstein

82670

Reaxy-Rn

39247333

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=39247333&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Ethers
        • Level5 Acetals
          • Level6 Ketals

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Acetals
• Direct Parent: Ketals
• Alternative Parents: Monosaccharides Tetrahydrofurans 1,3-dioxolanes Secondary alcohols Oxacyclic compounds Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Ketal - Monosaccharide - Tetrahydrofuran - Meta-dioxolane - Secondary alcohol - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Primary alcohol - Alcohol - Aliphatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as ketals. These are acetals derived from ketones by replacement of the oxo group by two hydrocarbyloxy groups R2C(OR)2 ( R not Hydrogen ). This term, once abandoned, has been reinstated as a subclass of acetals.
• 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

Propriétés chimiques et physiques

• Rotation spécifique [α]: -12° (C=1,H2O)
• Point de fusion (°C): 159-160°C
• Poids moléculaire: 220.220 g/mol
• XLogP3: -0.300
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 220.095 Da
• Monoisotopic Mass: 220.095 Da
• Topological Polar Surface Area: 88.400 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 243.000
• 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