Structure of Methyl glycocholate, 3TMS derivative (C36H69NO6Si3)
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Chemical Formula | C36H69NO6Si3 |
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Molecular Weight | 696.19266 g/mol |
IUPAC Name | methyl 2-[(4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R,16S)-2,15-dimethyl-5,9,16-tris[(trimethylsilyl)oxy]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanamido]acetate |
SMILES String | COC(=O)CNC(=O)CCC(C)C3CCC4C2C(CC1CC(CCC1(C)C2CC(O[Si](C)(C)C)C34C)O[Si](C)(C)C)O[Si](C)(C)C |
InChI | InChI=1S/C36H69NO6Si3/c1-24(14-17-32(38)37-23-33(39)40-4)27-15-16-28-34-29(22-31(36(27,28)3)43-46(11,12)13)35(2)19-18-26(41-44(5,6)7)20-25(35)21-30(34)42-45(8,9)10/h24-31,34H,14-23H2,1-13H3,(H,37,38)/t24-,25+,26-,27-,28+,29+,30-,31+,34+,35+,36-/m1/s1 |
InChIKey | DWTHTZIYLHWZPW-HEZCGDGCSA-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 Methyl glycocholate, 3TMS derivative molecule contains a total of 118 bond(s). There are 49 non-H bond(s), 2 multiple bond(s), 13 rotatable bond(s), 2 double bond(s), 1 five-membered ring(s), 3 six-membered ring(s), 1 nine-membered ring(s), 2 ten-membered ring(s), 1 ester(s) (aliphatic), and 1 secondary amide(s) (aliphatic). Images of the chemical structure of Methyl glycocholate, 3TMS derivative are given below:
The 2D chemical structure image of Methyl glycocholate, 3TMS derivative is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of Methyl glycocholate, 3TMS derivative 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 Methyl glycocholate, 3TMS derivative 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 Methyl glycocholate, 3TMS derivative. 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 Methyl glycocholate, 3TMS derivative is provided here.
The Methyl glycocholate, 3TMS derivative 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 Methyl glycocholate, 3TMS derivative 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 Methyl glycocholate, 3TMS derivative 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
Additional Information for Identifying Methyl glycocholate, 3TMS derivative Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of Methyl glycocholate, 3TMS derivative
The SMILES string of Methyl glycocholate, 3TMS derivative is COC(=O)CNC(=O)CCC(C)C3CCC4C2C(CC1CC(CCC1(C)C2CC(O[Si](C)(C)C)C34C)O[Si](C)(C)C)O[Si](C)(C)C, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Methyl glycocholate, 3TMS derivative.
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Structure Data File (SDF/MOL File) of Methyl glycocholate, 3TMS derivative
The structure data file (SDF/MOL File) of Methyl glycocholate, 3TMS derivative is available for download in the SDF page of Methyl glycocholate, 3TMS derivative, which provides the information about the atoms, bonds, connectivity and coordinates of Methyl glycocholate, 3TMS derivative. The Methyl glycocholate, 3TMS derivative structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of Methyl glycocholate, 3TMS derivative
The molecular formula of Methyl glycocholate, 3TMS derivative is available in chemical formula page of Methyl glycocholate, 3TMS derivative, 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 Methyl glycocholate, 3TMS derivative
The molecular weight of Methyl glycocholate, 3TMS derivative is available in molecular weight page of Methyl glycocholate, 3TMS derivative, 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 Methyl glycocholate, 3TMS derivative
The Methyl glycocholate, 3TMS derivative compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of Methyl glycocholate, 3TMS derivative including the various registry numbers, if available:
- N-[24-Oxo-3alpha,7alpha,12alpha-tris(trimethylsiloxy)-5beta-cholan-24-yl]glycine methyl ester
- 57326-16-6
- Methyl ((24-oxo-3,7,12-tris[(trimethylsilyl)oxy]cholan-24-yl)amino)acetate #
- Glycine, N-[(3.alpha.,5.beta.,7.alpha.,12.alpha.)-24-oxo-3,7,12-tris[(trimethylsilyl)oxy]cholan-24-yl]-, methyl ester
- Methyl glycocholate, 3TMS derivative
Methyl glycocholate, 3TMS derivative Identification Summary Frequently Asked Questions (FAQs)
What’s the chemical formula of Methyl glycocholate, 3TMS derivative? |
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C36H69NO6Si3 |
How many atoms and what are the elements included the Methyl glycocholate, 3TMS derivative molecule? |
115 atom(s) - 69 Hydrogen atom(s), 36 Carbon atom(s), 1 Nitrogen atom(s), and 6 Oxygen atom(s) |
How many chemical bonds and what kind of bonds are included the Methyl glycocholate, 3TMS derivative structure? |
118 bond(s) - 49 non-H bond(s), 2 multiple bond(s), 13 rotatable bond(s), 2 double bond(s), 1 five-membered ring(s), 3 six-membered ring(s), 1 nine-membered ring(s), 2 ten-membered ring(s), 1 ester(s) (aliphatic), and 1 secondary amide(s) (aliphatic) |
What’s the Methyl glycocholate, 3TMS derivative’s molecular weight? |
696.19266 g/mol |
What’s the SMILES code of Methyl glycocholate, 3TMS derivative? |
COC(=O)CNC(=O)CCC(C)C3CCC4C2C(CC1CC(CCC1(C)C2CC(O[Si](C)(C)C)C34C)O[Si](C)(C)C)O[Si](C)(C)C |
What’s the InChI string of Methyl glycocholate, 3TMS derivative? |
InChI=1S/C36H69NO6Si3/c1-24(14-17-32(38)37-23-33(39)40-4)27-15-16-28-34-29(22-31(36(27,28)3)43-46(11,12)13)35(2)19-18-26(41-44(5,6)7)20-25(35)21-30(34)42-45(8,9)10/h24-31,34H,14-23H2,1-13H3,(H,37,38)/t24-,25+,26-,27-,28+,29+,30-,31+,34+,35+,36-/m1/s1 |
What’s the InChIKey code of Methyl glycocholate, 3TMS derivative? |
DWTHTZIYLHWZPW-HEZCGDGCSA-N |