Molecular Weight of Bicyclomycin (C12H18N2O7)
Identification of Bicyclomycin Chemical Compound
| Chemical Formula | C12H18N2O7 |
|---|---|
| Molecular Weight | 302.28052 g/mol |
| IUPAC Name | (1S,6R)-6-hydroxy-5-methylidene-1-[(1S,2S)-1,2,3-trihydroxy-2-methylpropyl]-2-oxa-7,9-diazabicyclo[4.2.2]decane-8,10-dione |
| SMILES String | CC(O)(CO)C(O)C12NC(=O)C(O)(NC1=O)C(=C)CCO2 |
| InChI | InChI=1S/C12H18N2O7/c1-6-3-4-21-12(7(16)10(2,19)5-15)9(18)13-11(6,20)8(17)14-12/h7,15-16,19-20H,1,3-5H2,2H3,(H,13,18)(H,14,17)/t7-,10-,11+,12-/m0/s1 |
| InChIKey | WOUDXEYYJPOSNE-VKZDFBPFSA-N |
Molecular Weight Description
The Bicyclomycin molecule consists of 18 Hydrogen atom(s), 12 Carbon atom(s), 2 Nitrogen atom(s), and 7 Oxygen atom(s) - a total of 39 atom(s). The molecular weight of Bicyclomycin is determined by the sum of the atomic weights of each constituent element multiplied by the number of atoms, which is calculated to be:
$$ 302.28052 · \frac{g}{mol} $$
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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Additional Information for Identifying Bicyclomycin Molecule
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Structure Data File (SDF/MOL File) of Bicyclomycin
The structure data file (SDF/MOL File) of Bicyclomycin is available for download in the SDF page of Bicyclomycin, which provides the information on atoms, bonds, connectivity and coordinates of Bicyclomycin. The Bicyclomycin 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 Bicyclomycin
The molecular structure image of Bicyclomycin is available in chemical structure page of Bicyclomycin, which provides the molecular geometry information, i.e., the spatial arrangement of atoms in Bicyclomycin and the chemical bonds that hold the atoms together.
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Chemical formula of Bicyclomycin
The molecular formula of Bicyclomycin is given in chemical formula page of Bicyclomycin, 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 Bicyclomycin
In addition to the molecular weight information, the structural information of Bicyclomycin in a textual expression is available via InChi. The full standard InChI of Bicyclomycin is given below:
InChI=1S/C12H18N2O7/c1-6-3-4-21-12(7(16)10(2,19)5-15)9(18)13-11(6,20)8(17)14-12/h7,15-16,19-20H,1,3-5H2,2H3,(H,13,18)(H,14,17)/t7-,10-,11+,12-/m0/s1
It can provide a way to encode the molecular information of Bicyclomycin 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 Bicyclomycin is:
InChIKey=WOUDXEYYJPOSNE-VKZDFBPFSA-N
It may allow easier web searches for Bicyclomycin. The InChIKey, however, needs to be linked to the full InChI as well in order to get back to the original structure of the Bicyclomycin as the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of Bicyclomycin
There may be different names of the Bicyclomycin compound depending on the various situations of industrial applications, which are given below including the registry numbers if available:
- (1R,6S)-1-hydroxy-2-methylidene-6-[(1S,2S)-1,2,3-trihydroxy-2-methylpropyl]-5-oxa-8,10-diazabicyclo[4.2.2]decane-7,9-dione
- CGP-3543/E
- CGP 3543E
- BDBM22600
- J03U9E2P82
- 38129-37-2
- C12H18N2O7
- (1R*,6S*)-6-Hydroxy-5-methylene-1-((1R*,2R*)-1,2,3-trihydroxy-2-methylpropyl)-2-oxa-7,9-diazabicyclo(4.2.2)decan-8,10-dione
- CGP 3543/E
- FR 1881
- CGP 354E
- WS 4545
- Bicozamicina [INN-Spanish]
- Bicozamycinum [INN-Latin]
- Bicozamycine [INN-French]
- Antibiotic WS 4545
- Bicozamycin [INN]
- Antibiotic 5879
- Bacfeed
- Bicozamycinum
- Bicozamycine
- Bicozamicina
- Bacteron
- Bicozamycin
- Aizumycin
- Bicyclomycin
Bicyclomycin Identification Summary Frequently Asked Questions (FAQs)
| What’s the formula of Bicyclomycin? |
|---|
| C12H18N2O7 |
| How many atoms and what are the elements in the Bicyclomycin molecule? |
| 39 atom(s) - 18 Hydrogen atom(s), 12 Carbon atom(s), 2 Nitrogen atom(s), and 7 Oxygen atom(s) |
| How many chemical bonds and what types of bonds are in the Bicyclomycin structure? |
| 40 bond(s) - 22 non-H bond(s), 3 multiple bond(s), 3 rotatable bond(s), 3 double bond(s), 1 six-membered ring(s), 2 eight-membered ring(s), 2 secondary amide(s) (aliphatic), 4 hydroxyl group(s), 1 primary alcohol(s), 1 secondary alcohol(s), 1 tertiary alcohol(s), and 1 ether(s) (aliphatic) |
| What’s the molar mass of Bicyclomycin? |
| 302.28052 g/mol |
| What’s the SMILES format of Bicyclomycin? |
| CC(O)(CO)C(O)C12NC(=O)C(O)(NC1=O)C(=C)CCO2 |
| What’s the InChI format of Bicyclomycin? |
| InChI=1S/C12H18N2O7/c1-6-3-4-21-12(7(16)10(2,19)5-15)9(18)13-11(6,20)8(17)14-12/h7,15-16,19-20H,1,3-5H2,2H3,(H,13,18)(H,14,17)/t7-,10-,11+,12-/m0/s1 |
| What’s the InChIKey string of Bicyclomycin? |
| WOUDXEYYJPOSNE-VKZDFBPFSA-N |
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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).