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 (C13H19N3O6)

Structure Data File (SDF/MOL File) Description

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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

• Chemical structure of [(2R,3S,4S,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl butanoate

  By visualizing the structure data file (SDF/MOL File) above, the 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 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 specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.

• Molecular weight of [(2R,3S,4S,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl butanoate

  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 available in molecular weight page of [(2R,3S,4S,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl butanoate, which is calculated as the sum of the atomic masses of each constituent element multiplied by the number of atoms of that element.

• 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 chemical 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.

• 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

  An alternative way of expressing structural information in text format is 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:

  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 standard 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

  The InChIKey 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, but it needs to be linked to the full InChI 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 since the full standard InChI cannot be reconstructed from the InChIKey.

• 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

  The [(2R,3S,4S,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl butanoate compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of [(2R,3S,4S,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl butanoate including the registry numbers are listed below, if available:

  
  
  None available.

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[(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 [(2R,3S,4S,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl butanoate formula?
C13H19N3O6
How many atoms and what elements are included 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 kind 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 [(2R,3S,4S,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl butanoate’s molar mass?
313.30646 g/mol
What’s the SMILES structure 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 code 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 format 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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