Structure & Deep Data of 8-(2-Aminoethyl)aminoadenosine-3',5'-cyclic monophosphate (C12H18N7O6P)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The 8-(2-Aminoethyl)aminoadenosine-3',5'-cyclic monophosphate molecule contains a total of 47 bond(s). There are 29 non-H bond(s), 11 multiple bond(s), 4 rotatable bond(s), 1 double bond(s), 10 aromatic bond(s), 2 five-membered ring(s), 2 six-membered ring(s), 2 nine-membered ring(s), 1 primary amine(s) (aliphatic), 1 primary amine(s) (aromatic), 1 secondary amine(s) (aromatic), 2 hydroxyl group(s), 1 secondary alcohol(s), 1 ether(s) (aliphatic), 1 phosphate(s)/thiophosphate(s), 1 Oxolane(s), 1 Imidazole(s), and 1 Pyrimidine(s). Images of the chemical structure of 8-(2-Aminoethyl)aminoadenosine-3',5'-cyclic monophosphate are given below:

The 2D chemical structure image of 8-(2-Aminoethyl)aminoadenosine-3',5'-cyclic monophosphate is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of 8-(2-Aminoethyl)aminoadenosine-3',5'-cyclic monophosphate 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 8-(2-Aminoethyl)aminoadenosine-3',5'-cyclic monophosphate 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 8-(2-Aminoethyl)aminoadenosine-3',5'-cyclic monophosphate. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying 8-(2-Aminoethyl)aminoadenosine-3',5'-cyclic monophosphate Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of 8-(2-Aminoethyl)aminoadenosine-3',5'-cyclic monophosphate

  The SMILES string of 8-(2-Aminoethyl)aminoadenosine-3',5'-cyclic monophosphate is NCCNc2nc1c(N)ncnc1n2C4OC3COP(O)(=O)OC3C4O, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the 8-(2-Aminoethyl)aminoadenosine-3',5'-cyclic monophosphate.

• Structure Data File (SDF/MOL File) of 8-(2-Aminoethyl)aminoadenosine-3',5'-cyclic monophosphate

  The structure data file (SDF/MOL File) of 8-(2-Aminoethyl)aminoadenosine-3',5'-cyclic monophosphate is available for download in the SDF page of 8-(2-Aminoethyl)aminoadenosine-3',5'-cyclic monophosphate, which provides the information about the atoms, bonds, connectivity and coordinates of 8-(2-Aminoethyl)aminoadenosine-3',5'-cyclic monophosphate. The 8-(2-Aminoethyl)aminoadenosine-3',5'-cyclic monophosphate structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of 8-(2-Aminoethyl)aminoadenosine-3',5'-cyclic monophosphate

  The molecular formula of 8-(2-Aminoethyl)aminoadenosine-3',5'-cyclic monophosphate is available in chemical formula page of 8-(2-Aminoethyl)aminoadenosine-3',5'-cyclic monophosphate, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of 8-(2-Aminoethyl)aminoadenosine-3',5'-cyclic monophosphate

  The molecular weight of 8-(2-Aminoethyl)aminoadenosine-3',5'-cyclic monophosphate is available in molecular weight page of 8-(2-Aminoethyl)aminoadenosine-3',5'-cyclic monophosphate, 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 8-(2-Aminoethyl)aminoadenosine-3',5'-cyclic monophosphate

  The 8-(2-Aminoethyl)aminoadenosine-3',5'-cyclic monophosphate compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of 8-(2-Aminoethyl)aminoadenosine-3',5'-cyclic monophosphate including the various registry numbers, if available:

  • (4aR,6R,7R,7aS)-6-{6-Amino-8-[(2-aminoethyl)amino]-9H-purin-9-yl}-2,7-dihydroxytetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-2-one
  • 8-[(2-Aminoethyl)amino]adenosine 3',5'-phosphoric acid
  • W-203290
  • 8-(2-Aminoethyl)aminoadenosine-3',5'-cyclic monophosphate
  • 61363-29-9

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8-(2-Aminoethyl)aminoadenosine-3',5'-cyclic monophosphate Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of 8-(2-Aminoethyl)aminoadenosine-3',5'-cyclic monophosphate?
C12H18N7O6P
How many atoms and what are the elements included the 8-(2-Aminoethyl)aminoadenosine-3',5'-cyclic monophosphate molecule?
44 atom(s) - 18 Hydrogen atom(s), 12 Carbon atom(s), 7 Nitrogen atom(s), 6 Oxygen atom(s), and 1 Phosphorous atom(s)
How many chemical bonds and what kind of bonds are included the 8-(2-Aminoethyl)aminoadenosine-3',5'-cyclic monophosphate structure?
47 bond(s) - 29 non-H bond(s), 11 multiple bond(s), 4 rotatable bond(s), 1 double bond(s), 10 aromatic bond(s), 2 five-membered ring(s), 2 six-membered ring(s), 2 nine-membered ring(s), 1 primary amine(s) (aliphatic), 1 primary amine(s) (aromatic), 1 secondary amine(s) (aromatic), 2 hydroxyl group(s), 1 secondary alcohol(s), 1 ether(s) (aliphatic), 1 phosphate(s)/thiophosphate(s), 1 Oxolane(s), 1 Imidazole(s), and 1 Pyrimidine(s)
What’s the 8-(2-Aminoethyl)aminoadenosine-3',5'-cyclic monophosphate’s molecular weight?
387.288382 g/mol
What’s the SMILES code of 8-(2-Aminoethyl)aminoadenosine-3',5'-cyclic monophosphate?
NCCNc2nc1c(N)ncnc1n2C4OC3COP(O)(=O)OC3C4O
What’s the InChI string of 8-(2-Aminoethyl)aminoadenosine-3',5'-cyclic monophosphate?
InChI=1S/C12H18N7O6P/c13-1-2-15-12-18-6-9(14)16-4-17-10(6)19(12)11-7(20)8-5(24-11)3-23-26(21,22)25-8/h4-5,7-8,11,20H,1-3,13H2,(H,15,18)(H,21,22)(H2,14,16,17)/t5-,7-,8-,11-/m1/s1
What’s the InChIKey code of 8-(2-Aminoethyl)aminoadenosine-3',5'-cyclic monophosphate?
KENHRXLWWBDXBT-IOSLPCCCSA-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).