allo-Inositol - ≥98%(HPLC) , CAS No.643-10-7

CAS: 643-10-7 Cat. No.: A151141 Fórmula: C₆H₁₂O₆ 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 -20°C

Shipped In

Ice chest + Ice pads

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

Especificações e pureza

≥98%(HPLC)

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%(HPLC)

Nomes e identificadores

Pubchem Sid

508813510

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508813510

Sorrisos canónicos

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

SMILES isoméricas

C1(C(C(C(C(C1O)O)O)O)O)O

WGK Alemanha

3

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
    • Classe Organooxygen compounds
      • Subclass Alcohols and polyols
        • Level5 Secondary alcohols
          • Level6 Cyclohexanols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: 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
• Descrição: 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

Propriedades químicas e físicas

• Sensibilidade: light sensitive
• Ponto de fusão (°C): 320°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