Structure & Deep Data of Neodiosmin (C28H32O15)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The Neodiosmin molecule contains a total of 79 bond(s). There are 47 non-H bond(s), 14 multiple bond(s), 7 rotatable bond(s), 2 double bond(s), 12 aromatic bond(s), 5 six-membered ring(s), 1 ten-membered ring(s), 1 ketone(s) (aromatic), 6 hydroxyl group(s), 2 aromatic hydroxyl(s), 1 primary alcohol(s), 5 secondary alcohol(s), 3 ether(s) (aliphatic), and 3 ether(s) (aromatic). Images of the chemical structure of Neodiosmin are given below:

The 2D chemical structure image of Neodiosmin is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of Neodiosmin 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 Neodiosmin 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 Neodiosmin. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying Neodiosmin Molecule

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

  The SMILES string of Neodiosmin is COc1ccc(cc1O)c5cc(=O)c4c(O)cc(OC2OC(CO)C(O)C(O)C2OC3OC(C)C(O)C(O)C3O)cc4o5, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Neodiosmin.

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

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

• Chemical formula of Neodiosmin

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

• Molecular weight of Neodiosmin

  The molecular weight of Neodiosmin is available in molecular weight page of Neodiosmin, 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 Neodiosmin

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

  • MFCD00210583
  • Ambap38665-01-9
  • 38665-01-9
  • Neodiosmin

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Neodiosmin Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of Neodiosmin?
C28H32O15
How many atoms and what are the elements included the Neodiosmin molecule?
75 atom(s) - 32 Hydrogen atom(s), 28 Carbon atom(s), and 15 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the Neodiosmin structure?
79 bond(s) - 47 non-H bond(s), 14 multiple bond(s), 7 rotatable bond(s), 2 double bond(s), 12 aromatic bond(s), 5 six-membered ring(s), 1 ten-membered ring(s), 1 ketone(s) (aromatic), 6 hydroxyl group(s), 2 aromatic hydroxyl(s), 1 primary alcohol(s), 5 secondary alcohol(s), 3 ether(s) (aliphatic), and 3 ether(s) (aromatic)
What’s the Neodiosmin’s molecular weight?
608.54468 g/mol
What’s the SMILES code of Neodiosmin?
COc1ccc(cc1O)c5cc(=O)c4c(O)cc(OC2OC(CO)C(O)C(O)C2OC3OC(C)C(O)C(O)C3O)cc4o5
What’s the InChI string of Neodiosmin?
InChI=1S/C28H32O15/c1-10-21(33)23(35)25(37)27(39-10)43-26-24(36)22(34)19(9-29)42-28(26)40-12-6-14(31)20-15(32)8-17(41-18(20)7-12)11-3-4-16(38-2)13(30)5-11/h3-8,10,19,21-31,33-37H,9H2,1-2H3/t10-,19+,21-,22+,23+,24-,25+,26?,27-,28?/m0/s1
What’s the InChIKey code of Neodiosmin?
VCCNKWWXYVWTLT-LOYITBPBSA-N

25 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).