Molecular Weight of PETG (C14H20O5S)
Identification of PETG Chemical Compound
| Chemical Formula | C14H20O5S |
|---|---|
| Molecular Weight | 300.3706 g/mol |
| IUPAC Name | (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[(2-phenylethyl)sulfanyl]oxane-3,4,5-triol |
| SMILES String | OCC2OC(SCCc1ccccc1)C(O)C(O)C2O |
| InChI | InChI=1S/C14H20O5S/c15-8-10-11(16)12(17)13(18)14(19-10)20-7-6-9-4-2-1-3-5-9/h1-5,10-18H,6-8H2/t10-,11+,12+,13-,14-/m1/s1 |
| InChIKey | ZNAMMSOYKPMPGC-MBJXGIAVSA-N |
Molecular Weight Description
The PETG molecule consists of 20 Hydrogen atom(s), 14 Carbon atom(s), 5 Oxygen atom(s), and 1 Sulfur atom(s) - a total of 40 atom(s). The molecular weight of PETG is determined by the sum of the atomic weights of each constituent element multiplied by the number of atoms, which is calculated to be:
$$ 300.3706 · \frac{g}{mol} $$
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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- CAS #: 64-17-5
- Formula: C2H5OH
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- InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
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Additional Information for Identifying PETG Molecule
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Structure Data File (SDF/MOL File) of PETG
The structure data file (SDF/MOL File) of PETG is available for download in the SDF page of PETG, which provides the information on atoms, bonds, connectivity and coordinates of PETG. The PETG 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 PETG
The molecular structure image of PETG is available in chemical structure page of PETG, which provides the molecular geometry information, i.e., the spatial arrangement of atoms in PETG and the chemical bonds that hold the atoms together.
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Chemical formula of PETG
The molecular formula of PETG is given in chemical formula page of PETG, 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 PETG
In addition to the molecular weight information, the structural information of PETG in a textual expression is available via InChi. The full standard InChI of PETG is given below:
InChI=1S/C14H20O5S/c15-8-10-11(16)12(17)13(18)14(19-10)20-7-6-9-4-2-1-3-5-9/h1-5,10-18H,6-8H2/t10-,11+,12+,13-,14-/m1/s1
It can provide a way to encode the molecular information of PETG 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 PETG is:
InChIKey=ZNAMMSOYKPMPGC-MBJXGIAVSA-N
It may allow easier web searches for PETG. The InChIKey, however, needs to be linked to the full InChI as well in order to get back to the original structure of the PETG as the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of PETG
There may be different names of the PETG compound depending on the various situations of industrial applications, which are given below including the registry numbers if available:
- 2-phenylethyl beta-D-thiogalactopyranoside
- phenylethyl beta-d-thiogalactoside
- PETG
PETG Identification Summary Frequently Asked Questions (FAQs)
| What’s the formula of PETG? |
|---|
| C14H20O5S |
| How many atoms and what are the elements in the PETG molecule? |
| 40 atom(s) - 20 Hydrogen atom(s), 14 Carbon atom(s), 5 Oxygen atom(s), and 1 Sulfur atom(s) |
| How many chemical bonds and what types of bonds are in the PETG structure? |
| 41 bond(s) - 21 non-H bond(s), 6 multiple bond(s), 5 rotatable bond(s), 6 aromatic bond(s), 2 six-membered ring(s), 4 hydroxyl group(s), 1 primary alcohol(s), 3 secondary alcohol(s), 1 ether(s) (aliphatic), and 1 sulfide(s) |
| What’s the molar mass of PETG? |
| 300.3706 g/mol |
| What’s the SMILES format of PETG? |
| OCC2OC(SCCc1ccccc1)C(O)C(O)C2O |
| What’s the InChI format of PETG? |
| InChI=1S/C14H20O5S/c15-8-10-11(16)12(17)13(18)14(19-10)20-7-6-9-4-2-1-3-5-9/h1-5,10-18H,6-8H2/t10-,11+,12+,13-,14-/m1/s1 |
| What’s the InChIKey string of PETG? |
| ZNAMMSOYKPMPGC-MBJXGIAVSA-N |
2680
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Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN
technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).