Naphthofluorescein - ≥95%(HPLC) , CAS No.61419-02-1

CAS: 61419-02-1 Cat. No.: N131531 Molecular Weight: 432.42 Beilstein Registry Number: 61335 EC Number: 634-716-5

GRADE & PURITY ≥95%(HPLC)

Synonyms

MFCD00329026 | 3',11'-dihydroxy-3H-spiro[2-benzofuran-1,7'-dibenzo[c,h]xanthen]-3-one | DTXSID80886440 | AKOS000508082 | Naphthofluorescein | NCGC00387963-01 | AS-76423 | Naphthofluorescein, suitable for fluorescence | CCG 8295 | HY-124473 | STL512965 | S

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

Naphtofluorescein is a pH-sensitive fluorescent probe, also used for preparation of labels and enzyme substrates.

Specifications

Synonyms

MFCD00329026 | 3', 11'-dihydroxy-3H-spiro[2-benzofuran-1, 7'-dibenzo[c, h]xanthen]-3-one | DTXSID80886440 | AKOS000508082 | Naphthofluorescein | NCGC00387963-01 | AS-76423 | Naphthofluorescein, suitable for fluorescence | CCG 8295 | HY-124473 | STL512965 | S

Specifications & Purity

≥95%(HPLC)

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

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

Purity

≥95%(HPLC)

Names and Identifiers

• Pubchem Sid: 504762469
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762469
• Canonical Smiles: C1=CC=C2C(=C1)C(=O)OC23C4=C(C5=C(C=C4)C=C(C=C5)O)OC6=C3C=CC7=C6C=CC(=C7)O
• IUPAC Name: 7',19'-dihydroxyspiro[2-benzofuran-3,13'-2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene]-1-one
• InChIKey: IXQIUDNVFVTQLJ-UHFFFAOYSA-N
• INCHI: 1S/C28H16O5/c29-17-7-9-19-15(13-17)5-11-23-25(19)32-26-20-10-8-18(30)14-16(20)6-12-24(26)28(23)22-4-2-1-3-21(22)27(31)33-28/h1-14,29-30H
• Isomeric SMILES: C1=CC=C2C(=C1)C(=O)OC23C4=C(C5=C(C=C4)C=C(C=C5)O)OC6=C3C=CC7=C6C=CC(=C7)O
• WGK Germany: 3
• Molecular Weight: 432.42
• Beilstein: 61335
• Reaxy-Rn: 61335
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=61335&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzopyrans
      • Subclass 1-benzopyrans
        • Level5 Dibenzopyrans
          • Level6 Xanthenes
            • Level7 Benzoxanthenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzopyrans
• Subclass: 1-benzopyrans
• Intermediate Tree Nodes: Dibenzopyrans - Xanthenes
• Direct Parent: Benzoxanthenes
• Alternative Parents: Naphthopyrans Naphthols and derivatives Diarylethers Phthalides Benzofuranones Isobenzofurans 1-hydroxy-2-unsubstituted benzenoids Pyrans Lactones Carboxylic acid esters Oxacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzoxanthene - Naphthopyran - Diaryl ether - 2-naphthol - Benzofuranone - Naphthalene - Isobenzofuranone - Phthalide - Isocoumaran - Isobenzofuran - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Pyran - Benzenoid - Lactone - Carboxylic acid ester - Ether - Carboxylic acid derivative - Oxacycle - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as benzoxanthenes. These are organic compounds containing a benzene ring fused to a xanthene ring system. Xanthene is a tricyclic compound made up of two benzene rings linearly fused to each other through a pyran ring.
• 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

Chemical and Physical Properties

• Sensitivity: Light sensitive.
• Molecular Weight: 432.400 g/mol
• XLogP3: 5.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 432.1 Da
• Monoisotopic Mass: 432.1 Da
• Topological Polar Surface Area: 76.000 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 740.000
• 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