Dimethyl (dimethoxyphosphinyl)succinate - ≥98% , CAS No.2788-26-3

CAS: 2788-26-3 Cat. No.: D1318610 Formule: C₈H₁₅O₇P Poids moléculaire: 254.17 Numéro CE: 220-518-2

GRADE & PURITY ≥98%

Storage

Room temperature

Shipped In

Normal

Specifications

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

• Sourires canoniques: COC(=O)CC(C(=O)OC)P(=O)(OC)OC
• IUPAC Name: dimethyl 2-dimethoxyphosphorylbutanedioate
• InChIKey: LGAMILCIMHCDPT-UHFFFAOYSA-N
• INCHI: 1S/C8H15O7P/c1-12-7(9)5-6(8(10)13-2)16(11,14-3)15-4/h6H,5H2,1-4H3
• Poids moléculaire: 254.17

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Organic phosphonic acids and derivatives
      • Subclass Phosphonic acid diesters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Organic phosphonic acids and derivatives
• Subclass: Phosphonic acid diesters
• Intermediate Tree Nodes: Not available
• Direct Parent: Dialkyl alkylphosphonates
• Alternative Parents: Fatty acid methyl esters Phosphonic acid esters Dicarboxylic acids and derivatives Methyl esters Organopnictogen compounds Organophosphorus compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid ester - Fatty acid methyl ester - Dialkyl alkylphosphonate - Dicarboxylic acid or derivatives - Phosphonic acid ester - Fatty acyl - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Organopnictogen compound - Carbonyl group - Organophosphorus compound - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as dialkyl alkylphosphonates. These are compounds containing a phosphonic acid that is diesterified with alkyl groups, and the phosphorus atom is also directly attached to an alkyl group.
• 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

Propriétés chimiques et physiques

• Poids moléculaire: 254.170 g/mol
• XLogP3: -0.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 254.056 Da
• Monoisotopic Mass: 254.056 Da
• Topological Polar Surface Area: 88.100 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 293.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1