myo-Inositol Hexaacetate - ≥95% , CAS No.1254-38-2

CAS: 1254-38-2 Cat. No.: M333491 Peso molecular: 432.38

GRADE & PURITY ≥95%

Synonyms

1,2,3,4,5,6-Hexa-O-acetyl-myo-inositol | AKOS030241399 | SCHEMBL7151553 | EINECS 207-844-0 | 1,2,3,4,5,6-Hexaacetylinositol | Myoinositol hexaacetate | myo-Inositol Hexaacetate | SCHEMBL7154470 | NSC232032 | NSC-232032 | W-200987 | SCHEMBL8329413 | SCHEMB

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

1, 2, 3, 4, 5, 6-Hexa-O-acetyl-myo-inositol | AKOS030241399 | SCHEMBL7151553 | EINECS 207-844-0 | 1, 2, 3, 4, 5, 6-Hexaacetylinositol | Myoinositol hexaacetate | myo-Inositol Hexaacetate | SCHEMBL7154470 | NSC232032 | NSC-232032 | W-200987 | SCHEMBL8329413 | SCHEMB

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

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

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 504757965
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757965
• Sonrisas canónicas: CC(=O)OC1C(C(C(C(C1OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
• IUPAC Name: (2,3,4,5,6-pentaacetyloxycyclohexyl) acetate
• InChIKey: SQUHHTBVTRBESD-UHFFFAOYSA-N
• INCHI: 1S/C18H24O12/c1-7(19)25-13-14(26-8(2)20)16(28-10(4)22)18(30-12(6)24)17(29-11(5)23)15(13)27-9(3)21/h13-18H,1-6H3
• Isómeros SMILES: CC(=O)OC1C(C(C(C(C1OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
• Peso molecular: 432.38
• Reaxy-Rn: 2342850
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2342850&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Hexacarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Hexacarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Hexacarboxylic acids and derivatives
• Alternative Parents: Cyclitols and derivatives Carboxylic acid esters Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Hexacarboxylic acid or derivatives - Cyclitol or derivatives - Carboxylic acid ester - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as hexacarboxylic acids and derivatives. These are carboxylic acids containing exactly six 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

Propiedades químicas y físicas

• Punto de fusión (°C): 214-215° C
• Peso molecular: 432.400 g/mol
• XLogP3: -0.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 12
• Exact Mass: 432.127 Da
• Monoisotopic Mass: 432.127 Da
• Topological Polar Surface Area: 158.000 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 547.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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