(1-Hydroxyethylidene)Bis-Phosphonic Acid Tetrasodium Salt（HEDP·Na4） - ≥80% , CAS No.3794-83-0

CAS: 3794-83-0 Cat. No.: H303604 Peso molecular: 293.96 Número EC: 223-267-7

GRADE & PURITY ≥80%

Synonyms

Defloc EN 43 | Tetrasodium 1-hydroxyethylidenediphosphonate | (1-Hydroxyethylidene)diphosphonic acid, tetrasodium salt | Ethane-1-hydroxy-1,1-diphosphonic acid, tetrasodium salt | (1-Hydroxyethylidene)bisphosphonic acid, tetrasodium salt | FT-0689101 | F7

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

Sinónimos

Defloc EN 43 | Tetrasodium 1-hydroxyethylidenediphosphonate | (1-Hydroxyethylidene)diphosphonic acid, tetrasodium salt | Ethane-1-hydroxy-1, 1-diphosphonic acid, tetrasodium salt | (1-Hydroxyethylidene)bisphosphonic acid, tetrasodium salt | FT-0689101 | F7

Especificaciones y pureza

≥80%

Condiciones de almacenamiento de almacenamiento

Room temperature, Desiccated

Enviado en

Normal

Pureza

≥80%

Nombres e identificadores

• Sonrisas canónicas: CC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]
• IUPAC Name: tetrasodium;1,1-diphosphonatoethanol
• InChIKey: KWXLCDNSEHTOCB-UHFFFAOYSA-J
• INCHI: 1S/C2H8O7P2.4Na/c1-2(3,10(4,5)6)11(7,8)9;;;;/h3H,1H3,(H2,4,5,6)(H2,7,8,9);;;;/q;4*+1/p-4
• Isómeros SMILES: CC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]
• Peso molecular: 293.96
• Reaxy-Rn: 4057884
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4057884&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Organic phosphonic acids and derivatives
      • Subclass Bisphosphonates

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Organic phosphonic acids and derivatives
• Subclass: Bisphosphonates
• Intermediate Tree Nodes: Not available
• Direct Parent: Bisphosphonates
• Alternative Parents: Organic phosphonic acids Organopnictogen compounds Organophosphorus compounds Organooxygen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Bisphosphonate - Organophosphonic acid - Organic alkali metal salt - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organophosphorus compound - Organooxygen compound - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as bisphosphonates. These are organic compounds containing two phosphonate groups linked together through a carbon atoms.
• 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: 293.960 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 0
• Exact Mass: 293.902 Da
• Monoisotopic Mass: 293.902 Da
• Topological Polar Surface Area: 147.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 188.000
• 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: 5

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