Molecular Weight of Metilcelulosa (C29H54O16)
Identification of Metilcelulosa Chemical Compound
| Chemical Formula | C29H54O16 |
|---|---|
| Molecular Weight | 658.72946 g/mol |
| IUPAC Name | (2S,3R,4S,5R,6R)-2-{[(2R,3R,4S,5R,6S)-4,5-dimethoxy-2-(methoxymethyl)-6-{[(2R,3R,4S,5R,6R)-4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxy}oxan-3-yl]oxy}-3,4,5-trimethoxy-6-(methoxymethyl)oxane |
| SMILES String | COCC3OC(OC2C(COC)OC(OC1C(COC)OC(OC)C(OC)C1OC)C(OC)C2OC)C(OC)C(OC)C3OC |
| InChI | InChI=1S/C29H54O16/c1-30-12-15-18(33-4)21(34-5)25(38-9)28(42-15)45-20-17(14-32-3)43-29(26(39-10)23(20)36-7)44-19-16(13-31-2)41-27(40-11)24(37-8)22(19)35-6/h15-29H,12-14H2,1-11H3/t15-,16-,17-,18-,19-,20-,21+,22+,23+,24-,25-,26-,27-,28+,29+/m1/s1 |
| InChIKey | LNAZSHAWQACDHT-XIYTZBAFSA-N |
Molecular Weight Description
The Metilcelulosa molecule consists of 54 Hydrogen atom(s), 29 Carbon atom(s), and 16 Oxygen atom(s) - a total of 99 atom(s). The molecular weight of Metilcelulosa is determined by the sum of the atomic weights of each constituent element multiplied by the number of atoms, which is calculated to be:
$$ 658.72946 · \frac{g}{mol} $$
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
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- InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying Metilcelulosa Molecule
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Structure Data File (SDF/MOL File) of Metilcelulosa
The structure data file (SDF/MOL File) of Metilcelulosa is available for download in the SDF page of Metilcelulosa, which provides the information on atoms, bonds, connectivity and coordinates of Metilcelulosa. The Metilcelulosa 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 Metilcelulosa
The molecular structure image of Metilcelulosa is available in chemical structure page of Metilcelulosa, which provides the molecular geometry information, i.e., the spatial arrangement of atoms in Metilcelulosa and the chemical bonds that hold the atoms together.
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Chemical formula of Metilcelulosa
The molecular formula of Metilcelulosa is given in chemical formula page of Metilcelulosa, 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 Metilcelulosa
In addition to the molecular weight information, the structural information of Metilcelulosa in a textual expression is available via InChi. The full standard InChI of Metilcelulosa is given below:
InChI=1S/C29H54O16/c1-30-12-15-18(33-4)21(34-5)25(38-9)28(42-15)45-20-17(14-32-3)43-29(26(39-10)23(20)36-7)44-19-16(13-31-2)41-27(40-11)24(37-8)22(19)35-6/h15-29H,12-14H2,1-11H3/t15-,16-,17-,18-,19-,20-,21+,22+,23+,24-,25-,26-,27-,28+,29+/m1/s1
It can provide a way to encode the molecular information of Metilcelulosa 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 Metilcelulosa is:
InChIKey=LNAZSHAWQACDHT-XIYTZBAFSA-N
It may allow easier web searches for Metilcelulosa. The InChIKey, however, needs to be linked to the full InChI as well in order to get back to the original structure of the Metilcelulosa as the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of Metilcelulosa
There may be different names of the Metilcelulosa compound depending on the various situations of industrial applications, which are given below including the registry numbers if available:
- 4-O-[4-O-(2-O,3-O,4-O,6-O-Tetramethyl-beta-D-glucopyranosyl)-2-O,3-O,6-O-trimethyl-beta-D-glucopyranosyl]-1-O,2-O,3-O,6-O-tetramethyl-beta-D-glucopyranose
- E461
- methylated cellulose
- Methylcellulosum
- Metilcelulosa
Metilcelulosa Identification Summary Frequently Asked Questions (FAQs)
| What’s the formula of Metilcelulosa? |
|---|
| C29H54O16 |
| How many atoms and what are the elements in the Metilcelulosa molecule? |
| 99 atom(s) - 54 Hydrogen atom(s), 29 Carbon atom(s), and 16 Oxygen atom(s) |
| How many chemical bonds and what types of bonds are in the Metilcelulosa structure? |
| 101 bond(s) - 47 non-H bond(s), 18 rotatable bond(s), 3 six-membered ring(s), and 16 ether(s) (aliphatic) |
| What’s the molar mass of Metilcelulosa? |
| 658.72946 g/mol |
| What’s the SMILES format of Metilcelulosa? |
| COCC3OC(OC2C(COC)OC(OC1C(COC)OC(OC)C(OC)C1OC)C(OC)C2OC)C(OC)C(OC)C3OC |
| What’s the InChI format of Metilcelulosa? |
| InChI=1S/C29H54O16/c1-30-12-15-18(33-4)21(34-5)25(38-9)28(42-15)45-20-17(14-32-3)43-29(26(39-10)23(20)36-7)44-19-16(13-31-2)41-27(40-11)24(37-8)22(19)35-6/h15-29H,12-14H2,1-11H3/t15-,16-,17-,18-,19-,20-,21+,22+,23+,24-,25-,26-,27-,28+,29+/m1/s1 |
| What’s the InChIKey string of Metilcelulosa? |
| LNAZSHAWQACDHT-XIYTZBAFSA-N |
197
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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).