epi-Inositol - ≥98%(HPLC) , CAS No.488-58-4

CAS: 488-58-4 Cat. No.: E133456 Peso molecular: 180.16 Beilstein Registry Number: 6(4)7919

GRADE & PURITY ≥98%(HPLC)

Synonyms

AZD 103 | D-chiro-Inositol | (1R,2R,3R,4S,5S,6s)-cyclohexane-1,2,3,4,5,6-hexaol | Inosite | L-Inositol | (-)-chiro-Inositol | Mesovit | NSC-25142 | 1,2,3,4,5,6-Cyclohexanehexol | 1L-myo-Inositol | cis-1,2,3,5-trans-4,6-Cyclohexanehexol | CCRIS 6745 | Inos

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

AZD 103 | D-chiro-Inositol | (1R, 2R, 3R, 4S, 5S, 6s)-cyclohexane-1, 2, 3, 4, 5, 6-hexaol | Inosite | L-Inositol | (-)-chiro-Inositol | Mesovit | NSC-25142 | 1, 2, 3, 4, 5, 6-Cyclohexanehexol | 1L-myo-Inositol | cis-1, 2, 3, 5-trans-4, 6-Cyclohexanehexol | CCRIS 6745 | Inos

Especificaciones y pureza

≥98%(HPLC)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

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

Pureza

≥98%(HPLC)

Nombres e identificadores

• Pubchem Sid: 508816558
• Sonrisas canónicas: C1(C(C(C(C(C1O)O)O)O)O)O
• IUPAC Name: cyclohexane-1,2,3,4,5,6-hexol
• InChIKey: CDAISMWEOUEBRE-UHFFFAOYSA-N
• INCHI: 1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H
• Isómeros SMILES: C1(C(C(C(C(C1O)O)O)O)O)O
• Peso molecular: 180.16
• Beilstein: 6(4)7919
• Reaxy-Rn: 1907328
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1907328&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Alcohols and polyols
        • Level5 Secondary alcohols
          • Level6 Cyclohexanols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Secondary alcohols
• Direct Parent: Cyclohexanols
• Alternative Parents: Sugar alcohols Cyclitols and derivatives Polyols Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclohexanol - Sugar alcohol - Cyclitol or derivatives - Cyclic alcohol - Polyol - Hydrocarbon derivative - Aliphatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as cyclohexanols. These are compounds containing an alcohol group attached to a cyclohexane ring.
• External Descriptors: an inositol

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): 304°C(dec.)(lit.)
• Peso molecular: 180.160 g/mol
• XLogP3: -3.700
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 180.063 Da
• Monoisotopic Mass: 180.063 Da
• Topological Polar Surface Area: 121.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 104.000
• 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