Molecular Weight of Benzyl acuminose (C18H26O10)
Identification of Benzyl acuminose Chemical Compound
Chemical Formula | C18H26O10 |
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Molecular Weight | 402.39304 g/mol |
IUPAC Name | (2R,3R,4S,5S,6R)-2-(benzyloxy)-6-({[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)oxane-3,4,5-triol |
SMILES String | OCC3(O)COC(OCC2OC(OCc1ccccc1)C(O)C(O)C2O)C3O |
InChI | InChI=1S/C18H26O10/c19-8-18(24)9-27-17(15(18)23)26-7-11-12(20)13(21)14(22)16(28-11)25-6-10-4-2-1-3-5-10/h1-5,11-17,19-24H,6-9H2/t11-,12-,13+,14-,15+,16-,17-,18-/m1/s1 |
InChIKey | NJMQSVWMCODQIP-FQXXIRCGSA-N |
Molecular Weight Description
The benzyl acuminose molecule consists of 26 Hydrogen atom(s), 18 Carbon atom(s), and 10 Oxygen atom(s) - a total of 54 atom(s). The molecular weight of benzyl acuminose is determined by the sum of the atomic weights of each constituent element multiplied by the number of atoms, which is calculated to be:
$$ 402.39304 · \frac{g}{mol} $$
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 Benzyl acuminose Molecule
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Structure Data File (SDF/MOL File) of benzyl acuminose
The structure data file (SDF/MOL File) of benzyl acuminose is available for download in the SDF page of benzyl acuminose, which provides the information on atoms, bonds, connectivity and coordinates of benzyl acuminose. The benzyl acuminose 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 benzyl acuminose
The molecular structure image of benzyl acuminose is available in chemical structure page of benzyl acuminose, which provides the molecular geometry information, i.e., the spatial arrangement of atoms in benzyl acuminose and the chemical bonds that hold the atoms together.
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Chemical formula of benzyl acuminose
The molecular formula of benzyl acuminose is given in chemical formula page of benzyl acuminose, 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 benzyl acuminose
In addition to the molecular weight information, the structural information of benzyl acuminose in a textual expression is available via InChi. The full standard InChI of benzyl acuminose is given below:
InChI=1S/C18H26O10/c19-8-18(24)9-27-17(15(18)23)26-7-11-12(20)13(21)14(22)16(28-11)25-6-10-4-2-1-3-5-10/h1-5,11-17,19-24H,6-9H2/t11-,12-,13+,14-,15+,16-,17-,18-/m1/s1
It can provide a way to encode the molecular information of benzyl acuminose 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 benzyl acuminose is:
InChIKey=NJMQSVWMCODQIP-FQXXIRCGSA-N
It may allow easier web searches for benzyl acuminose. The InChIKey, however, needs to be linked to the full InChI as well in order to get back to the original structure of the benzyl acuminose as the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of benzyl acuminose
There may be different names of the benzyl acuminose compound depending on the various situations of industrial applications, which are given below including the registry numbers if available:
- 115009-57-9
- benzyl 6-O-beta-D-apiofuranosyl-beta-D-glucopyranoside
- Icariside F2, >=90% (LC/MS-ELSD)
- Icariside F2
- benzyl acuminose
Benzyl acuminose Identification Summary Frequently Asked Questions (FAQs)
What’s the formula of benzyl acuminose? |
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C18H26O10 |
How many atoms and what are the elements in the benzyl acuminose molecule? |
54 atom(s) - 26 Hydrogen atom(s), 18 Carbon atom(s), and 10 Oxygen atom(s) |
How many chemical bonds and what types of bonds are in the benzyl acuminose structure? |
56 bond(s) - 30 non-H bond(s), 6 multiple bond(s), 7 rotatable bond(s), 6 aromatic bond(s), 1 five-membered ring(s), 2 six-membered ring(s), 6 hydroxyl group(s), 1 primary alcohol(s), 4 secondary alcohol(s), 1 tertiary alcohol(s), 4 ether(s) (aliphatic), and 1 Oxolane(s) |
What’s the molar mass of benzyl acuminose? |
402.39304 g/mol |
What’s the SMILES format of benzyl acuminose? |
OCC3(O)COC(OCC2OC(OCc1ccccc1)C(O)C(O)C2O)C3O |
What’s the InChI format of benzyl acuminose? |
InChI=1S/C18H26O10/c19-8-18(24)9-27-17(15(18)23)26-7-11-12(20)13(21)14(22)16(28-11)25-6-10-4-2-1-3-5-10/h1-5,11-17,19-24H,6-9H2/t11-,12-,13+,14-,15+,16-,17-,18-/m1/s1 |
What’s the InChIKey string of benzyl acuminose? |
NJMQSVWMCODQIP-FQXXIRCGSA-N |
79
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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).