Structure of 2'-O-(5'-Cytidylyl)-5'-adenylic acid (C19H26N8O14P2)
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Chemical Formula | C19H26N8O14P2 |
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Molecular Weight | 652.402464 g/mol |
IUPAC Name | {[(2R,3R,4R,5R)-4-[({[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]-5-(6-amino-9H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy}phosphonic acid |
SMILES String | Nc5ccn(C4OC(COP(O)(=O)OC1C(O)C(COP(O)(O)=O)OC1n2cnc3c(N)ncnc23)C(O)C4O)c(=O)n5 |
InChI | InChI=1S/C19H26N8O14P2/c20-9-1-2-26(19(31)25-9)17-13(30)11(28)7(39-17)4-38-43(35,36)41-14-12(29)8(3-37-42(32,33)34)40-18(14)27-6-24-10-15(21)22-5-23-16(10)27/h1-2,5-8,11-14,17-18,28-30H,3-4H2,(H,35,36)(H2,20,25,31)(H2,21,22,23)(H2,32,33,34)/t7-,8-,11-,12-,13-,14-,17-,18-/m1/s1 |
InChIKey | HJBOVCMDSXFKME-KPKSGTNCSA-N |
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Chemical Structure Description
A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The 2'-O-(5'-Cytidylyl)-5'-adenylic acid molecule contains a total of 73 bond(s). There are 47 non-H bond(s), 15 multiple bond(s), 10 rotatable bond(s), 5 double bond(s), 10 aromatic bond(s), 3 five-membered ring(s), 2 six-membered ring(s), 1 nine-membered ring(s), 1 amidine derivative(s), 1 primary amine(s) (aliphatic), 1 primary amine(s) (aromatic), 6 hydroxyl group(s), 3 secondary alcohol(s), 2 ether(s) (aliphatic), 2 phosphate(s)/thiophosphate(s), 2 Oxolane(s), 1 Imidazole(s), and 1 Pyrimidine(s). Images of the chemical structure of 2'-O-(5'-Cytidylyl)-5'-adenylic acid are given below:


The 2D chemical structure image of 2'-O-(5'-Cytidylyl)-5'-adenylic acid is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of 2'-O-(5'-Cytidylyl)-5'-adenylic acid 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 2'-O-(5'-Cytidylyl)-5'-adenylic acid 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 2'-O-(5'-Cytidylyl)-5'-adenylic acid. Download structure data file (SDF/MOL) file of this compound.
Interactive 3D Visualization
For a better understanding of the chemical structure, an interactive 3D visualization of 2'-O-(5'-Cytidylyl)-5'-adenylic acid is provided here.
The 2'-O-(5'-Cytidylyl)-5'-adenylic acid molecule shown in the visualization screen can be rotated interactively by keep clicking and moving the mouse button. Mouse wheel zoom is available as well – the size of the 2'-O-(5'-Cytidylyl)-5'-adenylic acid molecule can be increased or decreased by scrolling the mouse wheel.
The information of the atoms, bonds, connectivity and coordinates included in the chemical structure of 2'-O-(5'-Cytidylyl)-5'-adenylic acid can easily be identified by this visualization. By right-clicking the visualization screen, various other options are available including the visualization of van der Waals surface and exporting to an image file.
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- CAS #: 64-17-5
- Formula: C2H5OH
- Smiles: CCO
- InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
Additional Information for Identifying 2'-O-(5'-Cytidylyl)-5'-adenylic acid Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of 2'-O-(5'-Cytidylyl)-5'-adenylic acid
The SMILES string of 2'-O-(5'-Cytidylyl)-5'-adenylic acid is Nc5ccn(C4OC(COP(O)(=O)OC1C(O)C(COP(O)(O)=O)OC1n2cnc3c(N)ncnc23)C(O)C4O)c(=O)n5, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the 2'-O-(5'-Cytidylyl)-5'-adenylic acid.
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Structure Data File (SDF/MOL File) of 2'-O-(5'-Cytidylyl)-5'-adenylic acid
The structure data file (SDF/MOL File) of 2'-O-(5'-Cytidylyl)-5'-adenylic acid is available for download in the SDF page of 2'-O-(5'-Cytidylyl)-5'-adenylic acid, which provides the information about the atoms, bonds, connectivity and coordinates of 2'-O-(5'-Cytidylyl)-5'-adenylic acid. The 2'-O-(5'-Cytidylyl)-5'-adenylic acid structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of 2'-O-(5'-Cytidylyl)-5'-adenylic acid
The molecular formula of 2'-O-(5'-Cytidylyl)-5'-adenylic acid is available in chemical formula page of 2'-O-(5'-Cytidylyl)-5'-adenylic acid, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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Molecular weight of 2'-O-(5'-Cytidylyl)-5'-adenylic acid
The molecular weight of 2'-O-(5'-Cytidylyl)-5'-adenylic acid is available in molecular weight page of 2'-O-(5'-Cytidylyl)-5'-adenylic acid, 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.
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Other names (synonyms) or registry numbers of 2'-O-(5'-Cytidylyl)-5'-adenylic acid
The 2'-O-(5'-Cytidylyl)-5'-adenylic acid compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of 2'-O-(5'-Cytidylyl)-5'-adenylic acid including the various registry numbers, if available:
- 2'-O-(5'-Cytidylyl)-5'-adenylic acid
2'-O-(5'-Cytidylyl)-5'-adenylic acid Identification Summary Frequently Asked Questions (FAQs)
What’s the chemical formula of 2'-O-(5'-Cytidylyl)-5'-adenylic acid? |
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C19H26N8O14P2 |
How many atoms and what are the elements included the 2'-O-(5'-Cytidylyl)-5'-adenylic acid molecule? |
69 atom(s) - 26 Hydrogen atom(s), 19 Carbon atom(s), 8 Nitrogen atom(s), 14 Oxygen atom(s), and 2 Phosphorous atom(s) |
How many chemical bonds and what kind of bonds are included the 2'-O-(5'-Cytidylyl)-5'-adenylic acid structure? |
73 bond(s) - 47 non-H bond(s), 15 multiple bond(s), 10 rotatable bond(s), 5 double bond(s), 10 aromatic bond(s), 3 five-membered ring(s), 2 six-membered ring(s), 1 nine-membered ring(s), 1 amidine derivative(s), 1 primary amine(s) (aliphatic), 1 primary amine(s) (aromatic), 6 hydroxyl group(s), 3 secondary alcohol(s), 2 ether(s) (aliphatic), 2 phosphate(s)/thiophosphate(s), 2 Oxolane(s), 1 Imidazole(s), and 1 Pyrimidine(s) |
What’s the 2'-O-(5'-Cytidylyl)-5'-adenylic acid’s molecular weight? |
652.402464 g/mol |
What’s the SMILES code of 2'-O-(5'-Cytidylyl)-5'-adenylic acid? |
Nc5ccn(C4OC(COP(O)(=O)OC1C(O)C(COP(O)(O)=O)OC1n2cnc3c(N)ncnc23)C(O)C4O)c(=O)n5 |
What’s the InChI string of 2'-O-(5'-Cytidylyl)-5'-adenylic acid? |
InChI=1S/C19H26N8O14P2/c20-9-1-2-26(19(31)25-9)17-13(30)11(28)7(39-17)4-38-43(35,36)41-14-12(29)8(3-37-42(32,33)34)40-18(14)27-6-24-10-15(21)22-5-23-16(10)27/h1-2,5-8,11-14,17-18,28-30H,3-4H2,(H,35,36)(H2,20,25,31)(H2,21,22,23)(H2,32,33,34)/t7-,8-,11-,12-,13-,14-,17-,18-/m1/s1 |
What’s the InChIKey code of 2'-O-(5'-Cytidylyl)-5'-adenylic acid? |
HJBOVCMDSXFKME-KPKSGTNCSA-N |