Tricyclo[3.3.1.13,7]decane-1,3,5,7-tetracarboxylicacid - ≥98% , CAS No.100884-80-8

CAS: 100884-80-8 Cat. No.: T302055 Peso molecular: 312.27 PubChem CID: 622495

GRADE & PURITY ≥98%

Synonyms

Adamantane-1,3,5,7-tetracarboxylicacid | Adamantane-1,3,5,7-tetracarboxylic acid | E84226 | 1,3,5,7-Adamantanetetracarboxylic acid # | Tricyclo[3.3.1.13,7]decane-1,3,5,7-tetracarboxylic acid | 1,3,5,7-Adamantanetetracarboxylic acid | SCHEMBL1648486 | DTXS

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

Adamantane-1, 3, 5, 7-tetracarboxylicacid | Adamantane-1, 3, 5, 7-tetracarboxylic acid | E84226 | 1, 3, 5, 7-Adamantanetetracarboxylic acid # | Tricyclo[3.3.1.13, 7]decane-1, 3, 5, 7-tetracarboxylic acid | 1, 3, 5, 7-Adamantanetetracarboxylic acid | SCHEMBL1648486 | DTXS

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504759577
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759577
• Sonrisas canónicas: C1C2(CC3(CC1(CC(C2)(C3)C(=O)O)C(=O)O)C(=O)O)C(=O)O
• IUPAC Name: adamantane-1,3,5,7-tetracarboxylic acid
• InChIKey: VWAIZPYLEYEEFK-UHFFFAOYSA-N
• INCHI: 1S/C14H16O8/c15-7(16)11-1-12(8(17)18)4-13(2-11,9(19)20)6-14(3-11,5-12)10(21)22/h1-6H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22)
• Isómeros SMILES: C1C2(CC3(CC1(CC(C2)(C3)C(=O)O)C(=O)O)C(=O)O)C(=O)O
• PubChem CID: 622495
• Peso molecular: 312.27

Taxonomic Classification

Taxonomy Tree

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

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

• Peso molecular: 312.270 g/mol
• XLogP3: -0.900
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 312.085 Da
• Monoisotopic Mass: 312.085 Da
• Topological Polar Surface Area: 149.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 460.000
• 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