Structure & Deep Data of Alfaprostol (C24H38O5)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The Alfaprostol molecule contains a total of 68 bond(s). There are 30 non-H bond(s), 3 multiple bond(s), 10 rotatable bond(s), 2 double bond(s), 1 triple bond(s), 1 five-membered ring(s), 1 six-membered ring(s), 1 ester(s) (aliphatic), 3 hydroxyl group(s), and 3 secondary alcohol(s). Images of the chemical structure of Alfaprostol are given below:

The 2D chemical structure image of Alfaprostol is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of Alfaprostol are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.

The 3D chemical structure image of Alfaprostol is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of Alfaprostol. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying Alfaprostol Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of Alfaprostol

  The SMILES string of Alfaprostol is COC(=O)CCCC=CCC1C(O)CC(O)C1C#CC(O)CCC2CCCCC2, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Alfaprostol.

• Structure Data File (SDF/MOL File) of Alfaprostol

  The structure data file (SDF/MOL File) of Alfaprostol is available for download in the SDF page of Alfaprostol, which provides the information about the atoms, bonds, connectivity and coordinates of Alfaprostol. The Alfaprostol structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of Alfaprostol

  The molecular formula of Alfaprostol is available in chemical formula page of Alfaprostol, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of Alfaprostol

  The molecular weight of Alfaprostol is available in molecular weight page of Alfaprostol, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.

• Other names (synonyms) or registry numbers of Alfaprostol

  The Alfaprostol compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of Alfaprostol including the various registry numbers, if available:

  • methyl (Z)-7-[(1R,2S,3R,5S)-2-[(3S)-5-cyclohexyl-3-hydroxypent-1-ynyl]-3,5-dihydroxycyclopentyl]hept-5-enoate
  • D02806
  • 5-Heptenoic acid, 7-(2-(5-cyclohexyl-3-hydroxy-1-pentynyl)-3,5-dihydroxycyclopentyl)-, methyl ester, (1R-(1alpha(Z),2beta(S*),3alpha,5alpha))-
  • Alfaprostol (USAN/INN)
  • Methyl (Z)-7-((1R,2S,3R,5S)-2-((3S)-5-cyclohexyl-3-hydroxy-1-pentynyl)-3,5-dihydroxycyclopentyl)-5-heptenoate
  • Gabbrostim (TN)
  • Alfaprostol [USAN:INN:BAN]
  • Alfavet
  • K 11941
  • 4XKL2JJ08I

  • Ro 22-9000
  • Alfaprostolum
  • K-11941
  • Alfaprostolum [INN-Latin]
  • Ro-229000
  • 74176-31-1
  • Alfaprostol

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Alfaprostol Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of Alfaprostol?
C24H38O5
How many atoms and what are the elements included the Alfaprostol molecule?
67 atom(s) - 38 Hydrogen atom(s), 24 Carbon atom(s), and 5 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the Alfaprostol structure?
68 bond(s) - 30 non-H bond(s), 3 multiple bond(s), 10 rotatable bond(s), 2 double bond(s), 1 triple bond(s), 1 five-membered ring(s), 1 six-membered ring(s), 1 ester(s) (aliphatic), 3 hydroxyl group(s), and 3 secondary alcohol(s)
What’s the Alfaprostol’s molecular weight?
406.55552 g/mol
What’s the SMILES code of Alfaprostol?
COC(=O)CCCC=CCC1C(O)CC(O)C1C#CC(O)CCC2CCCCC2
What’s the InChI string of Alfaprostol?
InChI=1S/C24H38O5/c1-29-24(28)12-8-3-2-7-11-20-21(23(27)17-22(20)26)16-15-19(25)14-13-18-9-5-4-6-10-18/h2,7,18-23,25-27H,3-6,8-14,17H2,1H3/b7-2-/t19-,20+,21+,22-,23+/m0/s1
What’s the InChIKey code of Alfaprostol?
OZDSQCVLNUIYLN-JNAAKWLTSA-N

36 The contents of this page can freely be shared if cited as follows:
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).