8-Methoxypyrene-1,3,6-trisulfonate trisodium , CAS No.82962-86-5

CAS: 82962-86-5 Cat. No.: M1453333 Molecular Weight: 538.412 PubChem CID: 2762661

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

8-Methoxypyrene-1,3,6-trisulfonate trisodium (MPTS) is a highly water-soluble superpolar fluorescent probe.

Specifications

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

• Canonical Smiles: COC1=CC(=C2C=CC3=C(C=C(C4=C3C2=C1C=C4)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]
• IUPAC Name: trisodium;8-methoxypyrene-1,3,6-trisulfonate
• InChIKey: GUGNSJAORJLKGP-UHFFFAOYSA-K
• INCHI: 1S/C17H12O10S3.3Na/c1-27-12-6-13(28(18,19)20)9-4-5-11-15(30(24,25)26)7-14(29(21,22)23)10-3-2-8(12)16(9)17(10)11;;;/h2-7H,1H3,(H,18,19,20)(H,21,22,23)(H,24,25,26);;;/q;3*+1/p-3
• Isomeric SMILES: COC1=CC(=C2C=CC3=C(C=C(C4=C3C2=C1C=C4)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]
• PubChem CID: 2762661
• Molecular Weight: 538.412

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Pyrenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Pyrenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrenes
• Alternative Parents: Phenanthrenes and derivatives 2-naphthalene sulfonic acids and derivatives 2-naphthalene sulfonates 1-naphthalene sulfonic acids and derivatives 1-naphthalene sulfonates 1-sulfo,2-unsubstituted aromatic compounds Anisoles Alkyl aryl ethers Sulfonyls Organosulfonic acids Organic sodium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Pyrene - Phenanthrene - 2-naphthalene sulfonate - 1-naphthalene sulfonate - Naphthalene sulfonic acid or derivatives - 2-naphthalene sulfonic acid or derivatives - 1-naphthalene sulfonic acid or derivatives - Naphthalene sulfonate - Naphthalene - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Anisole - Alkyl aryl ether - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Organic alkali metal salt - Ether - Organic salt - Organic sodium salt - Organosulfur compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrenes. These are compounds containing a pyrene moiety, which consists four fused benzene rings, resulting in a flat aromatic system.
• External Descriptors: organic sodium salt

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