Conduritol epoxide - ≥95%, powder , CAS No.23559-36-6

CAS: 23559-36-6 Cat. No.: C1038137 Fórmula: C₆H₁₀O₅ Peso molecular: 162.140

GRADE & PURITY ≥95%, powder

Storage

Room temperature

Specifications

Especificações e pureza

≥95%, powder

Condições de armazenamento de armazenamento

Room temperature

Pureza

≥95%

Nomes e identificadores

• Sorrisos canónicos: C1(C(C(C2C(C1O)O2)O)O)O
• IUPAC Name: 7-oxabicyclo[4.1.0]heptane-2,3,4,5-tetrol
• InChIKey: ZHMWOVGZCINIHW-UHFFFAOYSA-N
• INCHI: 1S/C6H10O5/c7-1-2(8)4(10)6-5(11-6)3(1)9/h1-10H
• Peso molecular: 162.140

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Oxepanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Oxepanes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Oxepanes
• Alternative Parents: Cyclitols and derivatives Secondary alcohols Polyols Oxacyclic compounds Epoxides Dialkyl ethers Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Oxepane - Cyclitol or derivatives - Cyclic alcohol - Secondary alcohol - Oxacycle - Polyol - Ether - Oxirane - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aliphatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as oxepanes. These are compounds containing an oxepane ring, which is a seven-member saturated aliphatic heterocycle with one oxygen and six carbon atoms.
• External Descriptors: a small molecule

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

• Peso molecular: 162.140 g/mol
• XLogP3: -2.700
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 162.053 Da
• Monoisotopic Mass: 162.053 Da
• Topological Polar Surface Area: 93.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 154.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 6
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1