Diacetone-D-galactose - ≥95% , CAS No.4064-06-6

CAS: 4064-06-6 Cat. No.: D107891 Peso molecular: 260.28 Beilstein Registry Number: 1345410 Número EC: 223-771-7

GRADE & PURITY ≥95%

Synonyms

((3aR,5R,5aS,8aS,8bR)-2,2,7,7-Tetramethyltetrahydro-3aH-bis([1,3]dioxolo)[4,5-b:4',5'-d]pyran-5-yl)methanol | Galactopyranose, 1,2:3,4-di-o-isopropylidene-, d- | 1,2:3,4-Di-O-isopropylidene-alpha-D-galactopyranose | AS-40655 | 1,2:3,4-Di-O-isopropylidene-

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

((3aR, 5R, 5aS, 8aS, 8bR)-2, 2, 7, 7-Tetramethyltetrahydro-3aH-bis([1, 3]dioxolo)[4, 5-b:4', 5'-d]pyran-5-yl)methanol | Galactopyranose, 1, 2:3, 4-di-o-isopropylidene-, d- | 1, 2:3, 4-Di-O-isopropylidene-alpha-D-galactopyranose | AS-40655 | 1, 2:3, 4-Di-O-isopropylidene-

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: CC1(OC2C(OC3C(C2O1)OC(O3)(C)C)CO)C
• IUPAC Name: [(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methanol
• InChIKey: POORJMIIHXHXAV-SOYHJAILSA-N
• INCHI: 1S/C12H20O6/c1-11(2)15-7-6(5-13)14-10-9(8(7)16-11)17-12(3,4)18-10/h6-10,13H,5H2,1-4H3/t6-,7+,8+,9-,10-/m1/s1
• Isómeros SMILES: CC1(O[C@H]2[C@H](O[C@H]3[C@@H]([C@H]2O1)OC(O3)(C)C)CO)C
• WGK Alemania: 3
• Peso molecular: 260.28
• Beilstein: 1345410
• Reaxy-Rn: 6369911
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6369911&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Dioxolopyrans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Dioxolopyrans
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Dioxolopyrans
• Alternative Parents: Ketals Oxanes Monosaccharides 1,3-dioxolanes Oxacyclic compounds Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Dioxolopyran - Ketal - Oxane - Monosaccharide - Meta-dioxolane - Oxacycle - Acetal - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as dioxolopyrans. These are compounds containing a dioxolopyran moiety, which consists of a dioxole ring fused to a pyran ring.
• 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

Propiedades químicas y físicas

• Solubilidad: Soluble in Acetone, Chloroform and Methanol.
• Sensibilidad: Hygroscopic air sensitive
• Índice de refracción: 1.466
• Punto de ebullición (°C): 117°C
• Peso molecular: 260.279 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 260.126 Da
• Monoisotopic Mass: 260.126 Da
• Topological Polar Surface Area: 66.400 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 341.000
• 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