Structure & Deep Data of 1-Hydroxyethyl-2'-deoxyadenosine (C12H17N5O4)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The 1-Hydroxyethyl-2'-deoxyadenosine molecule contains a total of 40 bond(s). There are 23 non-H bond(s), 10 multiple bond(s), 3 rotatable bond(s), 10 aromatic bond(s), 2 five-membered ring(s), 1 six-membered ring(s), 1 nine-membered ring(s), 1 primary amine(s) (aromatic), 3 hydroxyl group(s), 1 primary alcohol(s), 2 secondary alcohol(s), 1 ether(s) (aliphatic), 1 Oxolane(s), 1 Imidazole(s), and 1 Pyrimidine(s). Images of the chemical structure of 1-Hydroxyethyl-2'-deoxyadenosine are given below:

The 2D chemical structure image of 1-Hydroxyethyl-2'-deoxyadenosine is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of 1-Hydroxyethyl-2'-deoxyadenosine 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 1-Hydroxyethyl-2'-deoxyadenosine 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 1-Hydroxyethyl-2'-deoxyadenosine. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying 1-Hydroxyethyl-2'-deoxyadenosine Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of 1-Hydroxyethyl-2'-deoxyadenosine

  The SMILES string of 1-Hydroxyethyl-2'-deoxyadenosine is CC(O)C1(CC(O)C(CO)O1)n2cnc3c(N)ncnc23, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the 1-Hydroxyethyl-2'-deoxyadenosine.

• Structure Data File (SDF/MOL File) of 1-Hydroxyethyl-2'-deoxyadenosine

  The structure data file (SDF/MOL File) of 1-Hydroxyethyl-2'-deoxyadenosine is available for download in the SDF page of 1-Hydroxyethyl-2'-deoxyadenosine, which provides the information about the atoms, bonds, connectivity and coordinates of 1-Hydroxyethyl-2'-deoxyadenosine. The 1-Hydroxyethyl-2'-deoxyadenosine structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of 1-Hydroxyethyl-2'-deoxyadenosine

  The molecular formula of 1-Hydroxyethyl-2'-deoxyadenosine is available in chemical formula page of 1-Hydroxyethyl-2'-deoxyadenosine, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of 1-Hydroxyethyl-2'-deoxyadenosine

  The molecular weight of 1-Hydroxyethyl-2'-deoxyadenosine is available in molecular weight page of 1-Hydroxyethyl-2'-deoxyadenosine, 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 1-Hydroxyethyl-2'-deoxyadenosine

  The 1-Hydroxyethyl-2'-deoxyadenosine compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of 1-Hydroxyethyl-2'-deoxyadenosine including the various registry numbers, if available:

  • 1-Hydroxyethyl-2'-deoxyadenosine

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1-Hydroxyethyl-2'-deoxyadenosine Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of 1-Hydroxyethyl-2'-deoxyadenosine?
C12H17N5O4
How many atoms and what are the elements included the 1-Hydroxyethyl-2'-deoxyadenosine molecule?
38 atom(s) - 17 Hydrogen atom(s), 12 Carbon atom(s), 5 Nitrogen atom(s), and 4 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the 1-Hydroxyethyl-2'-deoxyadenosine structure?
40 bond(s) - 23 non-H bond(s), 10 multiple bond(s), 3 rotatable bond(s), 10 aromatic bond(s), 2 five-membered ring(s), 1 six-membered ring(s), 1 nine-membered ring(s), 1 primary amine(s) (aromatic), 3 hydroxyl group(s), 1 primary alcohol(s), 2 secondary alcohol(s), 1 ether(s) (aliphatic), 1 Oxolane(s), 1 Imidazole(s), and 1 Pyrimidine(s)
What’s the 1-Hydroxyethyl-2'-deoxyadenosine’s molecular weight?
295.29448 g/mol
What’s the SMILES code of 1-Hydroxyethyl-2'-deoxyadenosine?
CC(O)C1(CC(O)C(CO)O1)n2cnc3c(N)ncnc23
What’s the InChI string of 1-Hydroxyethyl-2'-deoxyadenosine?
InChI=1S/C12H17N5O4/c1-6(19)12(2-7(20)8(3-18)21-12)17-5-16-9-10(13)14-4-15-11(9)17/h4-8,18-20H,2-3H2,1H3,(H2,13,14,15)
What’s the InChIKey code of 1-Hydroxyethyl-2'-deoxyadenosine?
ZPKYKWJPUQLDFB-UHFFFAOYSA-N

17 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).