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Formula of CO7 (C25H40N7O17P3S)

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2D chemical structure image of CO7
Chemical Formula C25H40N7O17P3S
Molecular Weight 835.608086 g/mol
IUPAC Name {[(2R,3R,4R,5R)-2-(6-amino-9H-purin-9-yl)-5-({[({[(3R)-3-{[2-({2-[(2E)-but-2-enoylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}-3-hydroxy-2,2-dimethylpropoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}methyl)-4-hydroxyoxolan-3-yl]oxy}phosphonic acid
SMILES String CC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OCC1OC(C(OP(O)(O)=O)C1O)n2cnc3c(N)ncnc23
InChI InChI=1S/C25H40N7O17P3S/c1-4-5-16(34)53-9-8-27-15(33)6-7-28-23(37)20(36)25(2,3)11-46-52(43,44)49-51(41,42)45-10-14-18(35)19(48-50(38,39)40)24(47-14)32-13-31-17-21(26)29-12-30-22(17)32/h4-5,12-14,18-20,24,35-36H,6-11H2,1-3H3,(H,27,33)(H,28,37)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/b5-4+/t14-,18-,19-,20+,24-/m1/s1
InChIKey BOZMQGABFDQJEL-PAXLJYGASA-N
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Chemical Formula Description

The CO7 molecule contains a total of 93 atom(s). There are 40 Hydrogen atom(s), 25 Carbon atom(s), 7 Nitrogen atom(s), 17 Oxygen atom(s), 3 Phosphorous atom(s), and 1 Sulfur atom(s). A chemical formula of CO7 can therefore be written as:

C25H40N7O17P3S

The chemical formula of CO7 shown above is based on the molecular formula indicating the numbers of each type of atom in a molecule without structural information, which is different from the empirical formula which provides the numerical proportions of atoms of each type.

The above chemical formula is the basis of stoichiometry in chemical equations, i.e., the calculation of relative quantities of reactants and products in chemical reactions. The law of conservation of mass dictates that the quantity of each element given in the chemical formula does not change in a chemical reaction. Thus, each side of the chemical equation must represent the same quantity of any particular element based on the chemical formula.

3D chemical structure image of CO7
Ball-and-stick model of CO7

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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

Additional Information for Identifying CO7 Molecule

  • Structure Data File (SDF/MOL File) of CO7

    The structure data file (SDF/MOL File) of CO7 is available for download in the SDF page of CO7 providing the information about the atoms, bonds, connectivity and coordinates of CO7, which is not completely available in the chemical formula representation. The CO7 structure data file can be imported to most of the cheminformatics software for further analysis and visualization.

  • Chemical structure of CO7

    The chemical structure image of CO7 is available in chemical structure page of CO7, which specifies the molecular geometry, i.e., the spatial arrangement of atoms in the chemical formula of CO7 and the chemical bonds that hold the atoms together.

  • Molecular weight of CO7

    The molecular weight of CO7 is available in molecular weight page of CO7, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element specified in the chemical formula of CO7.

  • InChI (IUPAC International Chemical Identifier) information of CO7

    The molecular chemical formulas lack structural information. An alternative textual expression including the structural information is InChI. The full standard InChI of CO7 is:

    InChI=1S/C25H40N7O17P3S/c1-4-5-16(34)53-9-8-27-15(33)6-7-28-23(37)20(36)25(2,3)11-46-52(43,44)49-51(41,42)45-10-14-18(35)19(48-50(38,39)40)24(47-14)32-13-31-17-21(26)29-12-30-22(17)32/h4-5,12-14,18-20,24,35-36H,6-11H2,1-3H3,(H,27,33)(H,28,37)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/b5-4+/t14-,18-,19-,20+,24-/m1/s1

    It can provide a standard way to encode the molecular information of CO7 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 CO7 is:

    InChIKey=BOZMQGABFDQJEL-PAXLJYGASA-N

    The InChIKey may allow easier web searches for CO7, but it needs to be linked to the full InChI to get back to the original structure of the CO7 since the full standard InChI cannot be reconstructed from the InChIKey.

  • Other names (synonyms) or registry numbers of CO7

    The CO7 compound may have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of CO7 including the registry numbers is given below, if available:

    • S-{(9r,13r,15s)-17-[(2r,3r,4r,5r)-5-(6-Amino-9h-Purin-9-Yl)-3-Hydroxy-4-(Phosphonooxy)tetrahydrofuran-2-Yl]-9,13,15-Trihydroxy-10,10-Dimethyl-13,15-Dioxido-4,8-Dioxo-12,14,16-Trioxa-3,7-Diaza-13,15-Diphosphaheptadec-1-Yl}(2e)-But-2-Enethioate
    • CO7

CO7 Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of CO7?
C25H40N7O17P3S
How many atoms and what are they in the CO7 structure?
93 atom(s) - 40 Hydrogen atom(s), 25 Carbon atom(s), 7 Nitrogen atom(s), 17 Oxygen atom(s), 3 Phosphorous atom(s), and 1 Sulfur atom(s)
How many chemical bonds and what are they in the CO7 structure?
95 bond(s) - 55 non-H bond(s), 17 multiple bond(s), 21 rotatable bond(s), 7 double bond(s), 10 aromatic bond(s), 2 five-membered ring(s), 1 six-membered ring(s), 1 nine-membered ring(s), 2 secondary amide(s) (aliphatic), 1 thioester(s) (aliphatic), 1 primary amine(s) (aromatic), 6 hydroxyl group(s), 2 secondary alcohol(s), 1 ether(s) (aliphatic), 3 phosphate(s)/thiophosphate(s), 1 Oxolane(s), 1 Imidazole(s), and 1 Pyrimidine(s)
What’s the molecular weight of CO7?
835.608086 g/mol
What’s the SMILES string of CO7?
CC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OCC1OC(C(OP(O)(O)=O)C1O)n2cnc3c(N)ncnc23
What’s the InChI of CO7?
InChI=1S/C25H40N7O17P3S/c1-4-5-16(34)53-9-8-27-15(33)6-7-28-23(37)20(36)25(2,3)11-46-52(43,44)49-51(41,42)45-10-14-18(35)19(48-50(38,39)40)24(47-14)32-13-31-17-21(26)29-12-30-22(17)32/h4-5,12-14,18-20,24,35-36H,6-11H2,1-3H3,(H,27,33)(H,28,37)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/b5-4+/t14-,18-,19-,20+,24-/m1/s1
What’s the InChIKey of CO7?
BOZMQGABFDQJEL-PAXLJYGASA-N