Molecular Weight of [(2R,3S,4S,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl butanoate (C13H19N3O6)
Identification of [(2R,3S,4S,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl butanoate Chemical Compound
![2D chemical structure image of [(2R,3S,4S,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl butanoate](http://static.molinstincts.com/compound_common/2R-3S-4S-5R-5-4-amino-2-oxo-1-2-dihydropyrimidin-1-yl-3-4-2D-structure-CT1000001535.png)
| Chemical Formula | C13H19N3O6 |
|---|---|
| Molecular Weight | 313.30646 g/mol |
| IUPAC Name | [(2R,3S,4S,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl butanoate |
| SMILES String | CCCC(=O)OCC1OC(C(O)C1O)n2ccc(N)nc2=O |
| InChI | InChI=1S/C13H19N3O6/c1-2-3-9(17)21-6-7-10(18)11(19)12(22-7)16-5-4-8(14)15-13(16)20/h4-5,7,10-12,18-19H,2-3,6H2,1H3,(H2,14,15,20)/t7-,10-,11+,12-/m1/s1 |
| InChIKey | CTIYPXNIOPRPDS-KPQFEUGASA-N |
Molecular Weight Description
The [(2R,3S,4S,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl butanoate molecule consists of 19 Hydrogen atom(s), 13 Carbon atom(s), 3 Nitrogen atom(s), and 6 Oxygen atom(s) - a total of 41 atom(s). The molecular weight of [(2R,3S,4S,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl butanoate is determined by the sum of the atomic weights of each constituent element multiplied by the number of atoms, which is calculated to be:
$$ 313.30646 · \frac{g}{mol} $$
The exact term of the above molecular weight is “molar mass”, which is based on the atomic mass of each element. Molecular weight is actually an older term of “relative molar mass” or “molecular mass”, which is a dimensionless quantity equal to the molar mass divided by the molar mass constant defined by 1 g/mol.
Molecular masses are calculated from the standard atomic weights of each nuclide, while molar masses are calculated from the atomic mass of each element. The atomic mass takes into account the isotopic distribution of the element in a given sample.
![3D chemical structure image of [(2R,3S,4S,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl butanoate](http://static.molinstincts.com/compound_3d/2R-3S-4S-5R-5-4-amino-2-oxo-1-2-dihydropyrimidin-1-yl-3-4-3D-structure-CT1000001535.png)
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Additional Information for Identifying [(2R,3S,4S,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl butanoate Molecule
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Structure Data File (SDF/MOL File) of [(2R,3S,4S,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl butanoate
The structure data file (SDF/MOL File) of [(2R,3S,4S,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl butanoate is available for download in the SDF page of [(2R,3S,4S,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl butanoate, which provides the information on atoms, bonds, connectivity and coordinates of [(2R,3S,4S,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl butanoate. The [(2R,3S,4S,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl butanoate structure data file can be imported to most of the chemistry-related software, providing three-dimensional visualization and further analysis.
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Chemical structure of [(2R,3S,4S,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl butanoate
The molecular structure image of [(2R,3S,4S,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl butanoate is available in chemical structure page of [(2R,3S,4S,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl butanoate, which provides the molecular geometry information, i.e., the spatial arrangement of atoms in [(2R,3S,4S,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl butanoate and the chemical bonds that hold the atoms together.
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Chemical formula of [(2R,3S,4S,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl butanoate
The molecular formula of [(2R,3S,4S,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl butanoate is given in chemical formula page of [(2R,3S,4S,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl butanoate, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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InChI (IUPAC International Chemical Identifier) information of [(2R,3S,4S,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl butanoate
In addition to the molecular weight information, the structural information of [(2R,3S,4S,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl butanoate in a textual expression is available via InChi. The full standard InChI of [(2R,3S,4S,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl butanoate is given below:
InChI=1S/C13H19N3O6/c1-2-3-9(17)21-6-7-10(18)11(19)12(22-7)16-5-4-8(14)15-13(16)20/h4-5,7,10-12,18-19H,2-3,6H2,1H3,(H2,14,15,20)/t7-,10-,11+,12-/m1/s1
It can provide a way to encode the molecular information of [(2R,3S,4S,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl butanoate to facilitate the search for the compound information in databases and on the web.
The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of [(2R,3S,4S,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl butanoate is:
InChIKey=CTIYPXNIOPRPDS-KPQFEUGASA-N
It may allow easier web searches for [(2R,3S,4S,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl butanoate. The InChIKey, however, needs to be linked to the full InChI as well in order to get back to the original structure of the [(2R,3S,4S,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl butanoate as the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of [(2R,3S,4S,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl butanoate
There may be different names of the [(2R,3S,4S,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl butanoate compound depending on the various situations of industrial applications, which are given below including the registry numbers if available:
None available.
[(2R,3S,4S,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl butanoate Identification Summary Frequently Asked Questions (FAQs)
| What’s the formula of [(2R,3S,4S,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl butanoate? |
|---|
| C13H19N3O6 |
| How many atoms and what are the elements in the [(2R,3S,4S,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl butanoate molecule? |
| 41 atom(s) - 19 Hydrogen atom(s), 13 Carbon atom(s), 3 Nitrogen atom(s), and 6 Oxygen atom(s) |
| How many chemical bonds and what types of bonds are in the [(2R,3S,4S,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl butanoate structure? |
| 42 bond(s) - 23 non-H bond(s), 4 multiple bond(s), 6 rotatable bond(s), 4 double bond(s), 1 five-membered ring(s), 1 six-membered ring(s), 1 ester(s) (aliphatic), 1 amidine derivative(s), 1 primary amine(s) (aliphatic), 2 hydroxyl group(s), 2 secondary alcohol(s), 1 ether(s) (aliphatic), and 1 Oxolane(s) |
| What’s the molar mass of [(2R,3S,4S,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl butanoate? |
| 313.30646 g/mol |
| What’s the SMILES format of [(2R,3S,4S,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl butanoate? |
| CCCC(=O)OCC1OC(C(O)C1O)n2ccc(N)nc2=O |
| What’s the InChI format of [(2R,3S,4S,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl butanoate? |
| InChI=1S/C13H19N3O6/c1-2-3-9(17)21-6-7-10(18)11(19)12(22-7)16-5-4-8(14)15-13(16)20/h4-5,7,10-12,18-19H,2-3,6H2,1H3,(H2,14,15,20)/t7-,10-,11+,12-/m1/s1 |
| What’s the InChIKey string of [(2R,3S,4S,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl butanoate? |
| CTIYPXNIOPRPDS-KPQFEUGASA-N |
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