Fluorescein dipropionate - ≥95% , CAS No.7276-28-0

CAS: 7276-28-0 Cat. No.: F357570 Molecular Weight: 444.43 EC Number: 804-077-9

GRADE & PURITY ≥95%

Synonyms

MFCD00038598 | 3-oxo-6'-(propanoyloxy)-3H-spiro[2-benzofuran-1,9'-xanthen]-3'-yl propanoate | FLUORESCEIN DIPROPIONATE | J-100166 | DTXSID70649960 | 3-Oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-3',6'-diyl dipropanoate | 3-Oxo-3H-spiro[isobenzofuran-1,9'-xan

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

MFCD00038598 | 3-oxo-6'-(propanoyloxy)-3H-spiro[2-benzofuran-1, 9'-xanthen]-3'-yl propanoate | FLUORESCEIN DIPROPIONATE | J-100166 | DTXSID70649960 | 3-Oxo-3H-spiro[2-benzofuran-1, 9'-xanthene]-3', 6'-diyl dipropanoate | 3-Oxo-3H-spiro[isobenzofuran-1, 9'-xan

Specifications & Purity

≥95%

Storage

Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504770061
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770061
• Canonical Smiles: CCC(=O)OC1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)OC(=O)CC)C5=CC=CC=C5C(=O)O3
• IUPAC Name: (3-oxo-6'-propanoyloxyspiro[2-benzofuran-1,9'-xanthene]-3'-yl) propanoate
• InChIKey: NXIABCNYUKDBQI-UHFFFAOYSA-N
• INCHI: 1S/C26H20O7/c1-3-23(27)30-15-9-11-19-21(13-15)32-22-14-16(31-24(28)4-2)10-12-20(22)26(19)18-8-6-5-7-17(18)25(29)33-26/h5-14H,3-4H2,1-2H3
• Isomeric SMILES: CCC(=O)OC1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)OC(=O)CC)C5=CC=CC=C5C(=O)O3
• Molecular Weight: 444.43
• Reaxy-Rn: 6755024
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6755024&ln=

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 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 - Isobenzofuran - Isocoumaran - Benzenoid - Dicarboxylic acid or derivatives - Lactone - Carboxylic acid ester - Oxacycle - Ether - Carboxylic acid derivative - Organic oxide - Carbonyl group - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - 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: 444.400 g/mol
• XLogP3: 4.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 444.121 Da
• Monoisotopic Mass: 444.121 Da
• Topological Polar Surface Area: 88.100 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 737.000
• 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