Fluorescein dicaproate - ≥97% , CAS No.7364-90-1

CAS: 7364-90-1 Cat. No.: F1308959 PubChem CID: 26369041

GRADE & PURITY ≥97%

Storage

Room temperature

Shipped In

Normal

Specifications

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CCCCCC(=O)OC1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)OC(=O)CCCCC)C5=CC=CC=C5C(=O)O3
• IUPAC Name: (6'-hexanoyloxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) hexanoate
• InChIKey: DHSNCRHSIFNRJY-UHFFFAOYSA-N
• INCHI: 1S/C32H32O7/c1-3-5-7-13-29(33)36-21-15-17-25-27(19-21)38-28-20-22(37-30(34)14-8-6-4-2)16-18-26(28)32(25)24-12-10-9-11-23(24)31(35)39-32/h9-12,15-20H,3-8,13-14H2,1-2H3
• Isomeric SMILES: CCCCCC(=O)OC1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)OC(=O)CCCCC)C5=CC=CC=C5C(=O)O3
• Alternate CAS: 7364-90-1
• PubChem CID: 26369041

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzopyrans
• Subclass: 1-benzopyrans
• Intermediate Tree Nodes: Dibenzopyrans
• Direct Parent: Xanthenes
• Alternative Parents: Diarylethers Phthalides Phenol esters Benzofuranones Isobenzofurans Fatty acid esters Dicarboxylic acids and derivatives Lactones Carboxylic acid esters Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Xanthene - Diaryl ether - Benzofuranone - Phenol ester - Phthalide - Isobenzofuranone - Isocoumaran - Isobenzofuran - Fatty acid ester - Fatty acyl - Benzenoid - Dicarboxylic acid or derivatives - Carboxylic acid ester - Lactone - Ether - Oxacycle - Carboxylic acid derivative - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as xanthenes. These are polycyclic aromatic compounds containing a xanthene moiety, which consists of two benzene rings joined to each other by 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

• Molecular Weight: 528.600 g/mol
• XLogP3: 7.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 12
• Exact Mass: 528.215 Da
• Monoisotopic Mass: 528.215 Da
• Topological Polar Surface Area: 88.100 Ų
• Heavy Atom Count: 39
• Formal Charge: 0
• Complexity: 823.000
• 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