Molecular Weight of Ethyl 2,3,4,6-tetra-O-acetyl-alpha-D-thioglucopyranoside (C16H24O9S)
Identification of Ethyl 2,3,4,6-tetra-O-acetyl-alpha-D-thioglucopyranoside Chemical Compound
| Chemical Formula | C16H24O9S |
|---|---|
| Molecular Weight | 392.42136 g/mol |
| IUPAC Name | [3,4,5-tris(acetyloxy)-6-(ethylsulfanyl)oxan-2-yl]methyl acetate |
| SMILES String | CCSC1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O |
| InChI | InChI=1S/C16H24O9S/c1-6-26-16-15(24-11(5)20)14(23-10(4)19)13(22-9(3)18)12(25-16)7-21-8(2)17/h12-16H,6-7H2,1-5H3 |
| InChIKey | YPNFVZQPWZMHIF-UHFFFAOYSA-N |
Molecular Weight Description
The Ethyl 2,3,4,6-tetra-O-acetyl-alpha-D-thioglucopyranoside molecule consists of 24 Hydrogen atom(s), 16 Carbon atom(s), 9 Oxygen atom(s), and 1 Sulfur atom(s) - a total of 50 atom(s). The molecular weight of Ethyl 2,3,4,6-tetra-O-acetyl-alpha-D-thioglucopyranoside is determined by the sum of the atomic weights of each constituent element multiplied by the number of atoms, which is calculated to be:
$$ 392.42136 · \frac{g}{mol} $$
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.
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- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying Ethyl 2,3,4,6-tetra-O-acetyl-alpha-D-thioglucopyranoside Molecule
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Structure Data File (SDF/MOL File) of Ethyl 2,3,4,6-tetra-O-acetyl-alpha-D-thioglucopyranoside
The structure data file (SDF/MOL File) of Ethyl 2,3,4,6-tetra-O-acetyl-alpha-D-thioglucopyranoside is available for download in the SDF page of Ethyl 2,3,4,6-tetra-O-acetyl-alpha-D-thioglucopyranoside, which provides the information on atoms, bonds, connectivity and coordinates of Ethyl 2,3,4,6-tetra-O-acetyl-alpha-D-thioglucopyranoside. The Ethyl 2,3,4,6-tetra-O-acetyl-alpha-D-thioglucopyranoside 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 Ethyl 2,3,4,6-tetra-O-acetyl-alpha-D-thioglucopyranoside
The molecular structure image of Ethyl 2,3,4,6-tetra-O-acetyl-alpha-D-thioglucopyranoside is available in chemical structure page of Ethyl 2,3,4,6-tetra-O-acetyl-alpha-D-thioglucopyranoside, which provides the molecular geometry information, i.e., the spatial arrangement of atoms in Ethyl 2,3,4,6-tetra-O-acetyl-alpha-D-thioglucopyranoside and the chemical bonds that hold the atoms together.
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Chemical formula of Ethyl 2,3,4,6-tetra-O-acetyl-alpha-D-thioglucopyranoside
The molecular formula of Ethyl 2,3,4,6-tetra-O-acetyl-alpha-D-thioglucopyranoside is given in chemical formula page of Ethyl 2,3,4,6-tetra-O-acetyl-alpha-D-thioglucopyranoside, 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 Ethyl 2,3,4,6-tetra-O-acetyl-alpha-D-thioglucopyranoside
In addition to the molecular weight information, the structural information of Ethyl 2,3,4,6-tetra-O-acetyl-alpha-D-thioglucopyranoside in a textual expression is available via InChi. The full standard InChI of Ethyl 2,3,4,6-tetra-O-acetyl-alpha-D-thioglucopyranoside is given below:
InChI=1S/C16H24O9S/c1-6-26-16-15(24-11(5)20)14(23-10(4)19)13(22-9(3)18)12(25-16)7-21-8(2)17/h12-16H,6-7H2,1-5H3
It can provide a way to encode the molecular information of Ethyl 2,3,4,6-tetra-O-acetyl-alpha-D-thioglucopyranoside 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 Ethyl 2,3,4,6-tetra-O-acetyl-alpha-D-thioglucopyranoside is:
InChIKey=YPNFVZQPWZMHIF-UHFFFAOYSA-N
It may allow easier web searches for Ethyl 2,3,4,6-tetra-O-acetyl-alpha-D-thioglucopyranoside. The InChIKey, however, needs to be linked to the full InChI as well in order to get back to the original structure of the Ethyl 2,3,4,6-tetra-O-acetyl-alpha-D-thioglucopyranoside as the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of Ethyl 2,3,4,6-tetra-O-acetyl-alpha-D-thioglucopyranoside
There may be different names of the Ethyl 2,3,4,6-tetra-O-acetyl-alpha-D-thioglucopyranoside compound depending on the various situations of industrial applications, which are given below including the registry numbers if available:
- (3,4,5-triacetoxy-6-ethylsulfanyl-tetrahydropyran-2-yl)methyl acetate
- A-D-GALACTOPYRANOSIDE, ETHYL1-THIO-, 2,3,4,6-TETRAACETATE
- (3,4,5-triacetyloxy-6-ethylsulfanyloxan-2-yl)methyl acetate
- Ethyl 2,3,4,6-Tetra-O-acetyl- -D-thioglucopyranoside
- S07-0077
- S07-0076
- S07-0075
- S07-0074
- A830773
- A829183
- A825626
- A805526
- O-Acetyl-ethyl-thio-D-glucopyranose
- Ethyl 2,3,4,6-Tetra-O-acetyl-alpha-D-thiogalactopyranoside
- Ethyl 2,3,4,6-Tetra-O-acetyl-|A-D-thiogalactopyranoside
- Ethyl 2,3,4,6-tetra-O-acetyl-a-D-thioglucopyranoside
- acetic acid [3,4,5-triacetyloxy-6-(ethylthio)-2-oxanyl]methyl ester
- (3,4,5-triacetyloxy-6-ethylsulfanyl-oxan-2-yl)methyl ethanoate
- 41670-79-5
- 126187-25-5
- Ethyl 2,3,4,6-tetra-O-acetyl-alpha-D-thioglucopyranoside
- 52645-73-5
Ethyl 2,3,4,6-tetra-O-acetyl-alpha-D-thioglucopyranoside Identification Summary Frequently Asked Questions (FAQs)
| What’s the formula of Ethyl 2,3,4,6-tetra-O-acetyl-alpha-D-thioglucopyranoside? |
|---|
| C16H24O9S |
| How many atoms and what are the elements in the Ethyl 2,3,4,6-tetra-O-acetyl-alpha-D-thioglucopyranoside molecule? |
| 50 atom(s) - 24 Hydrogen atom(s), 16 Carbon atom(s), 9 Oxygen atom(s), and 1 Sulfur atom(s) |
| How many chemical bonds and what types of bonds are in the Ethyl 2,3,4,6-tetra-O-acetyl-alpha-D-thioglucopyranoside structure? |
| 50 bond(s) - 26 non-H bond(s), 4 multiple bond(s), 11 rotatable bond(s), 4 double bond(s), 1 six-membered ring(s), 4 ester(s) (aliphatic), 1 ether(s) (aliphatic), and 1 sulfide(s) |
| What’s the molar mass of Ethyl 2,3,4,6-tetra-O-acetyl-alpha-D-thioglucopyranoside? |
| 392.42136 g/mol |
| What’s the SMILES format of Ethyl 2,3,4,6-tetra-O-acetyl-alpha-D-thioglucopyranoside? |
| CCSC1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O |
| What’s the InChI format of Ethyl 2,3,4,6-tetra-O-acetyl-alpha-D-thioglucopyranoside? |
| InChI=1S/C16H24O9S/c1-6-26-16-15(24-11(5)20)14(23-10(4)19)13(22-9(3)18)12(25-16)7-21-8(2)17/h12-16H,6-7H2,1-5H3 |
| What’s the InChIKey string of Ethyl 2,3,4,6-tetra-O-acetyl-alpha-D-thioglucopyranoside? |
| YPNFVZQPWZMHIF-UHFFFAOYSA-N |
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