Structure & Deep Data of 9-(2'-ACETOXYETHOXYMETHYL)GUANINE (C10H13N5O4)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The 9-(2'-ACETOXYETHOXYMETHYL)GUANINE molecule contains a total of 33 bond(s). There are 20 non-H bond(s), 8 multiple bond(s), 6 rotatable bond(s), 3 double bond(s), 5 aromatic bond(s), 1 five-membered ring(s), 1 six-membered ring(s), 1 nine-membered ring(s), 1 ester(s) (aliphatic), 1 guanidine derivative(s), 1 primary amine(s) (aliphatic), 1 secondary amine(s) (aromatic), 1 ether(s) (aliphatic), and 1 Imidazole(s). Images of the chemical structure of 9-(2'-ACETOXYETHOXYMETHYL)GUANINE are given below:

The 2D chemical structure image of 9-(2'-ACETOXYETHOXYMETHYL)GUANINE is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of 9-(2'-ACETOXYETHOXYMETHYL)GUANINE 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 9-(2'-ACETOXYETHOXYMETHYL)GUANINE 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 9-(2'-ACETOXYETHOXYMETHYL)GUANINE. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying 9-(2'-ACETOXYETHOXYMETHYL)GUANINE Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of 9-(2'-ACETOXYETHOXYMETHYL)GUANINE

  The SMILES string of 9-(2'-ACETOXYETHOXYMETHYL)GUANINE is CC(=O)OCCOCn1cnc2c(=O)nc(N)[nH]c12, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the 9-(2'-ACETOXYETHOXYMETHYL)GUANINE.

• Structure Data File (SDF/MOL File) of 9-(2'-ACETOXYETHOXYMETHYL)GUANINE

  The structure data file (SDF/MOL File) of 9-(2'-ACETOXYETHOXYMETHYL)GUANINE is available for download in the SDF page of 9-(2'-ACETOXYETHOXYMETHYL)GUANINE, which provides the information about the atoms, bonds, connectivity and coordinates of 9-(2'-ACETOXYETHOXYMETHYL)GUANINE. The 9-(2'-ACETOXYETHOXYMETHYL)GUANINE structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of 9-(2'-ACETOXYETHOXYMETHYL)GUANINE

  The molecular formula of 9-(2'-ACETOXYETHOXYMETHYL)GUANINE is available in chemical formula page of 9-(2'-ACETOXYETHOXYMETHYL)GUANINE, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of 9-(2'-ACETOXYETHOXYMETHYL)GUANINE

  The molecular weight of 9-(2'-ACETOXYETHOXYMETHYL)GUANINE is available in molecular weight page of 9-(2'-ACETOXYETHOXYMETHYL)GUANINE, 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 9-(2'-ACETOXYETHOXYMETHYL)GUANINE

  The 9-(2'-ACETOXYETHOXYMETHYL)GUANINE compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of 9-(2'-ACETOXYETHOXYMETHYL)GUANINE including the various registry numbers, if available:

  • 2-[(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]ethyl acetate, pharmaceutical impurity standard
  • Acyclovir Related Compound A, United States Pharmacopeia (USP) Reference Standard
  • Acetic acid 2-(2-amino-6-oxo-1,6-dihydro-purin-9-ylmethoxy)-ethyl ester
  • 9-[[2-(Acetyloxy)ethoxy]methyl]-2-amino-1,9-dihydro-6H-purin-6-one
  • 9-(2'-ACETOXYETHOXYMETHYL)GUANINE
  • 102728-64-3
  • Aciclovir impurity A [EP]
  • BAS 00485786
  • CCG-104097
  • 6H-Purin-6-one, 9-((2-(acetyloxy)ethoxy)methyl)-2-amino-1,9-dihydro-

  • 9-(2-acetoxyethoxy methyl) guanine
  • 9-(2-acetyloxyethoxymethyl)guanine
  • 9-(2-acetoxyethoxy)methylguanine
  • I14-37826
  • J-000774
  • 2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl acetate
  • O-Acetylacyclovir
  • 6H-Purin-6-one, 9-[[2-(acetyloxy)ethoxy]methyl]-2-amino-1,9-dihydro-
  • Y16CE349S3
  • Acyclovir Acetate

  • 2-((2-Amino-6-oxo-1H-purin-9(6H)-yl)methoxy)ethyl acetate
  • 2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]ethyl acetate
  • 9-(2-Acetoxyethoxymethyl)guanine
  • C-16748
  • 9-(2'-ACETOXYETHOXYMETHYL)-GUANINE

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9-(2'-ACETOXYETHOXYMETHYL)GUANINE Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of 9-(2'-ACETOXYETHOXYMETHYL)GUANINE?
C10H13N5O4
How many atoms and what are the elements included the 9-(2'-ACETOXYETHOXYMETHYL)GUANINE molecule?
32 atom(s) - 13 Hydrogen atom(s), 10 Carbon atom(s), 5 Nitrogen atom(s), and 4 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the 9-(2'-ACETOXYETHOXYMETHYL)GUANINE structure?
33 bond(s) - 20 non-H bond(s), 8 multiple bond(s), 6 rotatable bond(s), 3 double bond(s), 5 aromatic bond(s), 1 five-membered ring(s), 1 six-membered ring(s), 1 nine-membered ring(s), 1 ester(s) (aliphatic), 1 guanidine derivative(s), 1 primary amine(s) (aliphatic), 1 secondary amine(s) (aromatic), 1 ether(s) (aliphatic), and 1 Imidazole(s)
What’s the 9-(2'-ACETOXYETHOXYMETHYL)GUANINE’s molecular weight?
267.24132 g/mol
What’s the SMILES code of 9-(2'-ACETOXYETHOXYMETHYL)GUANINE?
CC(=O)OCCOCn1cnc2c(=O)nc(N)[nH]c12
What’s the InChI string of 9-(2'-ACETOXYETHOXYMETHYL)GUANINE?
InChI=1S/C10H13N5O4/c1-6(16)19-3-2-18-5-15-4-12-7-8(15)13-10(11)14-9(7)17/h4H,2-3,5H2,1H3,(H3,11,13,14,17)
What’s the InChIKey code of 9-(2'-ACETOXYETHOXYMETHYL)GUANINE?
DMHAXLGAKQREIL-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).