Disodium Anthraquinone-2,6-disulfonate - ≥98%(HPLC)(T) , CAS No.853-68-9

CAS: 853-68-9 Cat. No.: D155118 Peso molecular: 412.29 Número EC: 212-719-9

GRADE & PURITY ≥98%(HPLC)(T)

Synonyms

Anthrquinone-2,6-disulfonic acid disodium salt | Anthraquinone-2,6-disulfonic acid disodium salt | DTXSID8061216 | disodium;9,10-dioxoanthracene-2,6-disulfonate | GS-3064 | H10477 | Sodium 9,10-dioxo-9,10-dihydroanthracene-2,6-disulfonate | disodium 9,10-

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

Anthrquinone-2, 6-disulfonic acid disodium salt | Anthraquinone-2, 6-disulfonic acid disodium salt | DTXSID8061216 | disodium;9, 10-dioxoanthracene-2, 6-disulfonate | GS-3064 | H10477 | Sodium 9, 10-dioxo-9, 10-dihydroanthracene-2, 6-disulfonate | disodium 9, 10-

Especificaciones y pureza

≥98%(HPLC)(T)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(HPLC)(T)

Nombres e identificadores

• Pubchem Sid: 488184463
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184463
• Sonrisas canónicas: C1=CC2=C(C=C1S(=O)(=O)[O-])C(=O)C3=C(C2=O)C=C(C=C3)S(=O)(=O)[O-].[Na+].[Na+]
• IUPAC Name: disodium;9,10-dioxoanthracene-2,6-disulfonate
• InChIKey: PKOVWEHDVFYKHL-UHFFFAOYSA-L
• INCHI: 1S/C14H8O8S2.2Na/c15-13-9-3-1-7(23(17,18)19)5-11(9)14(16)10-4-2-8(6-12(10)13)24(20,21)22;;/h1-6H,(H,17,18,19)(H,20,21,22);;/q;2*+1/p-2
• Isómeros SMILES: C1=CC2=C(C=C1S(=O)(=O)[O-])C(=O)C3=C(C2=O)C=C(C=C3)S(=O)(=O)[O-].[Na+].[Na+]
• CAS alternativo: 84-50-4
• Peso molecular: 412.29
• Reaxy-Rn: 3582949
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3582949&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Anthracenes
      • Subclass Anthraquinones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Anthracenes
• Subclass: Anthraquinones
• Intermediate Tree Nodes: Not available
• Direct Parent: Anthraquinones
• Alternative Parents: 1-sulfo,2-unsubstituted aromatic compounds Aryl ketones Sulfonyls Organosulfonic acids Organic sodium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 9,10-anthraquinone - Anthraquinone - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Aryl ketone - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Ketone - Organic alkali metal salt - Organic sodium salt - Organosulfur compound - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organic salt - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as anthraquinones. These are organic compounds containing either anthracene-9,10-quinone, 1,4-anthraquinone, or 1,2-anthraquinone.
• 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

Objetivos asociados (humanos)

NT5E Tchem 5'-nucleotidase (622 Activities)

Discover Target: NT5E

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

RL (305 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 412.300 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 0
• Exact Mass: 411.93 Da
• Monoisotopic Mass: 411.93 Da
• Topological Polar Surface Area: 165.000 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 665.000
• 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: 3

XLogP3

Referencias

1. Yan-Fang Guan, Bao-Cheng Huang, Chen Qian, Han-Qing Yu.  (2017)  Quantification of Humic Substances in Natural Water Using Nitrogen-Doped Carbon Dots.  ENVIRONMENTAL SCIENCE & TECHNOLOGY,      [PMID:29149558] [10.1021/acs.est.7b04430]