Structure & Deep Data of Didanosine (C10H12N4O3)
Identification of Didanosine Chemical Compound
| Chemical Formula | C10H12N4O3 |
|---|---|
| Molecular Weight | 236.22728 g/mol |
| IUPAC Name | 9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-6,9-dihydro-3H-purin-6-one |
| SMILES String | OCC1CCC(O1)n2cnc3c(=O)nc[nH]c23 |
| InChI | InChI=1S/C10H12N4O3/c15-3-6-1-2-7(17-6)14-5-13-8-9(14)11-4-12-10(8)16/h4-7,15H,1-3H2,(H,11,12,16)/t6-,7+/m0/s1 |
| InChIKey | BXZVVICBKDXVGW-NKWVEPMBSA-N |
Chemical Structure Description
A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The didanosine molecule contains a total of 31 bond(s). There are 19 non-H bond(s), 7 multiple bond(s), 2 rotatable bond(s), 2 double bond(s), 5 aromatic bond(s), 2 five-membered ring(s), 1 six-membered ring(s), 1 nine-membered ring(s), 1 amidine derivative(s), 1 secondary amine(s) (aromatic), 1 hydroxyl group(s), 1 primary alcohol(s), 1 ether(s) (aliphatic), 1 Oxolane(s), and 1 Imidazole(s). Images of the chemical structure of didanosine are given below:
The 2D chemical structure image of didanosine is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of didanosine 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 didanosine 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 didanosine. Download structure data file (SDF/MOL) file of this compound.
chemical table area
Interactive 3D Visualization
For a better understanding of the chemical structure, an interactive 3D visualization of didanosine is provided here.
The didanosine 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 didanosine 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 didanosine 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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- Name: ethanol
- CAS #: 64-17-5
- Formula: C2H5OH
- Smiles: CCO
- InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying Didanosine Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of didanosine
The SMILES string of didanosine is OCC1CCC(O1)n2cnc3c(=O)nc[nH]c23, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the didanosine.
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Structure Data File (SDF/MOL File) of didanosine
The structure data file (SDF/MOL File) of didanosine is available for download in the SDF page of didanosine, which provides the information about the atoms, bonds, connectivity and coordinates of didanosine. The didanosine structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of didanosine
The molecular formula of didanosine is available in chemical formula page of didanosine, 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 didanosine
The molecular weight of didanosine is available in molecular weight page of didanosine, 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 didanosine
The didanosine compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of didanosine including the various registry numbers, if available:
- EN300-123032
- Videx ECreg
- Didanosine for system suitability, European Pharmacopoeia (EP) Reference Standard
- 9-((2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl)-3,9-dihydro-6H-purin-6-one
- 2 inverted exclamation mark ,3 inverted exclamation mark -Dideoxyinosine
- 9-((2S,5R)-5-Hydroxymethyl-tetrahydro-furan-2-yl)-9H-purin-6-ol
- Didanosine, United States Pharmacopeia (USP) Reference Standard
- Didanosine, European Pharmacopoeia (EP) Reference Standard
- Z1692482604
- W-203551
- J-700356
- J10315
- 2',3'-Dideoxyinosine, >=98% (HPLC)
- K166
- SRI-7013_07
- SRI-7013-05
- SRI-7013-04
- Didanosine-Supplied by Selleck Chemicals
- RTR-030612
- CCG-220153
- CCG-100947
- Videx Chewable Dispersible Tab 150mg
- Videx Chewable Dispersible Tab 100mg
- Videx Chewable Dispersible Tab 50mg
- Videx Chewable Dispersible Tab 25mg
- BDBM50404252
- ANW-35738
- Videx Pediatric Powder Sol 4g/bott
- HY-B0249
- HMS2232P22
- HMS2095O08
- GTPL4833
- 2', 3'-dideoxyinosine
- Didanosine (DDI)
- Didanosine [USAN:USP:INN:BAN]
- 3'-dideoxyinosine
- Videx EC;Videx
- 9-[(2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1H-purin-6-one
- CAS-69655-05-6
- 9-[(2R,5S)-5-(HYDROXYMETHYL)OXOLAN-2-YL]-6,9-DIHYDRO-1H-PURIN-6-ONE
- 9-((2R,5S)-5-Hydroxymethyl-tetrahydro-furan-2-yl)-1,9-dihydro-purin-6-one
- 9-((2R,5S)-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-1H-purin-6(9H)-one
- 2',3'-Dideoxyinosine & Granulocyte-macrophage colony-stimulating factor
- Sulfated polysaccharide-peptidoglycan DS-4152 & 2',3'-Dideoxyinosine
- 9-[(2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purin-6-one
- 9-((2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl)-9H-purin-6-ol
- Lecithinized superoxide dismutase & Inosine, 2',3'-dideoxy-
- Inosine, 2',3'-dideoxy- & Recombinant Interferon-.alpha.-2
- 9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one
- 2',3'-Dideoxyinosine & sCD4(soluble recombinant protein)
- 2',3'-dideoxyinosine, DDI, NSC 612049, Didanosine
- 3'-Azido-3'-deoxythymidine + 2',3'-Dideoxyinosine
- D2I
- 2DI
- Listera ovata agglutinin & 2',3'-Dideoxyinosine
- 9-(2,3-Dideoxy-beta-D-ribofuranosyl)hypoxanthine
- 9-[(2R,5R)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-2-YL]-1,9-DIHYDRO-6H-PURIN-6-ONE
- D00296
- 9-[(2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,9-dihydro-6H-purin-6-one
- D3066
- 2',3'-Dideoxyinosine & Interferon-.alpha.
- 2',3'-Dideoxyinosine (AIDS Initiative)
- Videx EC(TM)(slow-release capsules)
- MFCD00077728
- Didanosine and Interferon-.alpha.-2
- 9-(2,3-Dideoxy-beta-D-ribofuranosyl)-6-oxopurine
- HMS2089N20
- HMS2051J11
- DS-4152 & ddI
- 2',3'-Dideoxyinosine (ddI)
- Didanosine (JAN/USAN/INN)
- Bio-0685
- 2'3'-DIDEOXYINOSINE
- K3GDH6OH08
- ddI & sCD4(rsCD4)
- BMY 40900
- DDI and rIFN.alpha.2
- DRG-0016
- ddI & GM-CSF
- ddI + d4T combination
- ddI & IFN-.alpha.
- LOA & ddI
- PC-SOD+ddI
- Dideoxyinosine (DDI)
- Videx (TN)
- Intron A & Videx
- 2,3-dideoxyinosine
- Videx(TM)
- Didanosina [INN-Spanish]
- Didanosinum [INN-Latin]
- Hypoxanthine ddN
- BMY-40900
- DDI
- Inosine, 2',3'-dideoxy-
- Didanosinum
- Didanosina
- ddIno
- Videx EC
- Videx
- DIDEOXYINOSINE
- 69655-05-6
- 2',3'-Dideoxyinosine
- didanosine
Didanosine Identification Summary Frequently Asked Questions (FAQs)
| What’s the chemical formula of didanosine? |
|---|
| C10H12N4O3 |
| How many atoms and what are the elements included the didanosine molecule? |
| 29 atom(s) - 12 Hydrogen atom(s), 10 Carbon atom(s), 4 Nitrogen atom(s), and 3 Oxygen atom(s) |
| How many chemical bonds and what kind of bonds are included the didanosine structure? |
| 31 bond(s) - 19 non-H bond(s), 7 multiple bond(s), 2 rotatable bond(s), 2 double bond(s), 5 aromatic bond(s), 2 five-membered ring(s), 1 six-membered ring(s), 1 nine-membered ring(s), 1 amidine derivative(s), 1 secondary amine(s) (aromatic), 1 hydroxyl group(s), 1 primary alcohol(s), 1 ether(s) (aliphatic), 1 Oxolane(s), and 1 Imidazole(s) |
| What’s the didanosine’s molecular weight? |
| 236.22728 g/mol |
| What’s the SMILES code of didanosine? |
| OCC1CCC(O1)n2cnc3c(=O)nc[nH]c23 |
| What’s the InChI string of didanosine? |
| InChI=1S/C10H12N4O3/c15-3-6-1-2-7(17-6)14-5-13-8-9(14)11-4-12-10(8)16/h4-7,15H,1-3H2,(H,11,12,16)/t6-,7+/m0/s1 |
| What’s the InChIKey code of didanosine? |
| BXZVVICBKDXVGW-NKWVEPMBSA-N |
1153
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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).