1,3,5-シクロヘキサントリオール（シスとトランスの混合物） - ≥95%以上(GC) , CAS No.2041-15-8

CAS: 2041-15-8 Cat. No.: C153243 分子式: C₆H₁₂O₃ 分子量: 132.16

GRADE & PURITY ≥95%(GC)

Synonyms

AKOS006276376 | A871571 | CAA04115 | trans-1,3,5-Trihydroxycyclohexane | FS-4315 | Q27461691 | SCHEMBL19307787 | SB83876 | Phloroglucitol | A-Trihydroxycyclohexane | A,3 | DTXSID00942577 | SCHEMBL36515 | 1-(4-phenyl-1h-imidazol-2-yl)cyclohexanamine | MFCD

Storage

Room temperature

Shipped In

ノーマル

Specifications

同義語

AKOS006276376 | A871571 | CAA04115 | trans-1,3,5-Trihydroxycyclohexane | FS-4315 | Q27461691 | SCHEMBL19307787 | SB83876 | Phloroglucitol | A-Trihydroxycyclohexane | A,3 | DTXSID00942577 | SCHEMBL36515 | 1-(4-phenyl-1h-imidazol-2-yl)cyclohexanamine | MFCD

仕様と純度

≥95%以上(GC)

保管条件

Room temperature

入荷

ノーマル

純度

≥95%(GC)

名前と識別子

パブケム・シド

488188809

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488188809

カノニカル・スマイル

C1C(CC(CC1O)O)O

IUPAC Name

cyclohexane-1,3,5-triol

InChIKey

FSDSKERRNURGGO-UHFFFAOYSA-N

INCHI

1S/C6H12O3/c7-4-1-5(8)3-6(9)2-4/h4-9H,1-3H2

異性体SMILES

C1C(CC(CC1O)O)O

分子量

132.16

Reaxy-Rn

2409424

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2409424&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 分類: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Secondary alcohols
• Direct Parent: Cyclohexanols
• Alternative Parents: Cyclitols and derivatives Polyols Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclohexanol - Cyclitol or derivatives - Cyclic alcohol - Polyol - Hydrocarbon derivative - Aliphatic homomonocyclic compound
• 説明: 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: 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

化学的性質と物理的性質

• 分子量: 132.160 g/mol
• XLogP3: -0.800
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 132.079 Da
• Monoisotopic Mass: 132.079 Da
• Topological Polar Surface Area: 60.700 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 63.300
• 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