Molecular Weight of Fagomine (C6H13NO3)
Identification of Fagomine Chemical Compound
Chemical Formula | C6H13NO3 |
---|---|
Molecular Weight | 147.17232 g/mol |
IUPAC Name | (2R,3R,4R)-2-(hydroxymethyl)piperidine-3,4-diol |
SMILES String | OCC1NCCC(O)C1O |
InChI | InChI=1S/C6H13NO3/c8-3-4-6(10)5(9)1-2-7-4/h4-10H,1-3H2/t4-,5-,6-/m1/s1 |
InChIKey | YZNNBIPIQWYLDM-HSUXUTPPSA-N |
Molecular Weight Description
The Fagomine molecule consists of 13 Hydrogen atom(s), 6 Carbon atom(s), 1 Nitrogen atom(s), and 3 Oxygen atom(s) - a total of 23 atom(s). The molecular weight of Fagomine is determined by the sum of the atomic weights of each constituent element multiplied by the number of atoms, which is calculated to be:
$$ 147.17232 · \frac{g}{mol} $$
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 Fagomine Molecule
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Structure Data File (SDF/MOL File) of Fagomine
The structure data file (SDF/MOL File) of Fagomine is available for download in the SDF page of Fagomine, which provides the information on atoms, bonds, connectivity and coordinates of Fagomine. The Fagomine 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 Fagomine
The molecular structure image of Fagomine is available in chemical structure page of Fagomine, which provides the molecular geometry information, i.e., the spatial arrangement of atoms in Fagomine and the chemical bonds that hold the atoms together.
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Chemical formula of Fagomine
The molecular formula of Fagomine is given in chemical formula page of Fagomine, 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 Fagomine
In addition to the molecular weight information, the structural information of Fagomine in a textual expression is available via InChi. The full standard InChI of Fagomine is given below:
InChI=1S/C6H13NO3/c8-3-4-6(10)5(9)1-2-7-4/h4-10H,1-3H2/t4-,5-,6-/m1/s1
It can provide a way to encode the molecular information of Fagomine 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 Fagomine is:
InChIKey=YZNNBIPIQWYLDM-HSUXUTPPSA-N
It may allow easier web searches for Fagomine. The InChIKey, however, needs to be linked to the full InChI as well in order to get back to the original structure of the Fagomine as the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of Fagomine
There may be different names of the Fagomine compound depending on the various situations of industrial applications, which are given below including the registry numbers if available:
- BDBM50379024
- (?)-Fagomine
- 3,4-Piperidinediol,2-(hydroxymethyl)-, (2R,3R,4R)-
- (2R,3R,4R)-2-Hydroxymethyl-piperidine-3,4-diol
- D-arabino-Hexitol, 1,2,5-trideoxy-1,5-imino-
- AR-1A2863
- 3665AH
- KST-1A5607
- 1M10C1P4SM
- SureCN142574
- 3,4-Piperidinediol, 2-(hydroxymethyl)-, (2R,3R,4R)-
- 1,2,5-Trideoxy-1,5-imino-D-arabino-hexitol
- D-Fagomine
- 53185-12-9
- Fagomine
- W-5793
- BDBM50240725
Fagomine Identification Summary Frequently Asked Questions (FAQs)
What’s the formula of Fagomine? |
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C6H13NO3 |
How many atoms and what are the elements in the Fagomine molecule? |
23 atom(s) - 13 Hydrogen atom(s), 6 Carbon atom(s), 1 Nitrogen atom(s), and 3 Oxygen atom(s) |
How many chemical bonds and what types of bonds are in the Fagomine structure? |
23 bond(s) - 10 non-H bond(s), 1 rotatable bond(s), 1 six-membered ring(s), 1 secondary amine(s) (aliphatic), 3 hydroxyl group(s), 1 primary alcohol(s), and 2 secondary alcohol(s) |
What’s the molar mass of Fagomine? |
147.17232 g/mol |
What’s the SMILES format of Fagomine? |
OCC1NCCC(O)C1O |
What’s the InChI format of Fagomine? |
InChI=1S/C6H13NO3/c8-3-4-6(10)5(9)1-2-7-4/h4-10H,1-3H2/t4-,5-,6-/m1/s1 |
What’s the InChIKey string of Fagomine? |
YZNNBIPIQWYLDM-HSUXUTPPSA-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).