SDF/Mol File of 5-Hexadecanoylaminofluorescein (C36H43NO6)

Structure Data File (SDF/MOL File) Description

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Additional Information for Identifying 5-Hexadecanoylaminofluorescein Molecule

• Chemical structure of 5-Hexadecanoylaminofluorescein

  By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of 5-Hexadecanoylaminofluorescein is available in chemical structure page of 5-Hexadecanoylaminofluorescein, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.

• Molecular weight of 5-Hexadecanoylaminofluorescein

  The molecular weight of 5-Hexadecanoylaminofluorescein is available in molecular weight page of 5-Hexadecanoylaminofluorescein, which is calculated as the sum of the atomic masses of each constituent element multiplied by the number of atoms of that element.

• Chemical formula of 5-Hexadecanoylaminofluorescein

  The chemical formula of 5-Hexadecanoylaminofluorescein is given in chemical formula page of 5-Hexadecanoylaminofluorescein, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• InChI (IUPAC International Chemical Identifier) information of 5-Hexadecanoylaminofluorescein

  An alternative way of expressing structural information in text format is InChI. The full standard InChI of 5-Hexadecanoylaminofluorescein is:

  InChI=1S/C36H43NO6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-34(40)37-25-16-19-29-28(22-25)35(41)43-36(29)30-20-17-26(38)23-32(30)42-33-24-27(39)18-21-31(33)36/h16-24,38-39H,2-15H2,1H3,(H,37,40)

  It can provide a standard way to encode the molecular information of 5-Hexadecanoylaminofluorescein to facilitate the search for the compound information in databases and on the web.

  The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of 5-Hexadecanoylaminofluorescein is:

  InChIKey=QWSRVJGBAIRGMP-UHFFFAOYSA-N

  The InChIKey may allow easier web searches for 5-Hexadecanoylaminofluorescein, but it needs to be linked to the full InChI to get back to the original structure of the 5-Hexadecanoylaminofluorescein since the full standard InChI cannot be reconstructed from the InChIKey.

• Other names (synonyms) or registry numbers of 5-Hexadecanoylaminofluorescein

  The 5-Hexadecanoylaminofluorescein compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of 5-Hexadecanoylaminofluorescein including the registry numbers are listed below, if available:

  • N-(3',6'-Dihydroxy-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-5-yl)hexadecanamide
  • N-(3',6'-Dihydroxy-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthen]-5-yl)palmitamide
  • Hexadecanamide, N-(3',6'-dihydroxy-3-oxospiro(isobenzofuran-1(3H),9'-(9H)xanthen)-5-yl)-
  • H 110
  • AR-1J8365
  • AFC16 / HAF / HEDAF
  • HEDAF
  • 5-(N-Hexadecanoyl)aminofluoroscein
  • 5-(N-Hexadecanoyl)aminofluorescein
  • N-{3',6'-DIHYDROXY-3-OXOSPIRO[2-BENZOFURAN-1,9'-XANTHENE]-5-YL}HEXADECANAMIDE

  • N-(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)hexadecanamide
  • (Hexadecanoyl)aminofluorescein
  • n-(3',6'-dihydroxy-3-oxo-3h-spiro[2-benzofuran-1,9'-xanthen]-5-yl)hexadecanamide
  • 5-(Hexadecanoylamino)fluorescein
  • 5-Hexadecanoylaminofluorescein
  • 73024-80-3

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5-Hexadecanoylaminofluorescein Identification Summary Frequently Asked Questions (FAQs)

What’s the 5-Hexadecanoylaminofluorescein formula?
C36H43NO6
How many atoms and what elements are included in the 5-Hexadecanoylaminofluorescein molecule?
86 atom(s) - 43 Hydrogen atom(s), 36 Carbon atom(s), 1 Nitrogen atom(s), and 6 Oxygen atom(s)
How many chemical bonds and what kind of bonds are in the 5-Hexadecanoylaminofluorescein structure?
90 bond(s) - 47 non-H bond(s), 20 multiple bond(s), 15 rotatable bond(s), 2 double bond(s), 18 aromatic bond(s), 1 five-membered ring(s), 4 six-membered ring(s), 1 nine-membered ring(s), 2 ten-membered ring(s), 1 ester(s) (aromatic), 1 secondary amide(s) (aliphatic), 2 aromatic hydroxyl(s), and 1 ether(s) (aromatic)
What’s the 5-Hexadecanoylaminofluorescein’s molar mass?
585.72972 g/mol
What’s the SMILES structure of 5-Hexadecanoylaminofluorescein?
CCCCCCCCCCCCCCCC(=O)Nc1ccc2c(c1)C(=O)OC24c3ccc(O)cc3Oc5cc(O)ccc45
What’s the InChI code of 5-Hexadecanoylaminofluorescein?
InChI=1S/C36H43NO6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-34(40)37-25-16-19-29-28(22-25)35(41)43-36(29)30-20-17-26(38)23-32(30)42-33-24-27(39)18-21-31(33)36/h16-24,38-39H,2-15H2,1H3,(H,37,40)
What’s the InChIKey format of 5-Hexadecanoylaminofluorescein?
QWSRVJGBAIRGMP-UHFFFAOYSA-N

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Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).