Molecular Weight of IVERMECTIN (C48H74O14)
Identification of IVERMECTIN Chemical Compound
| Chemical Formula | C48H74O14 |
|---|---|
| Molecular Weight | 875.09276 g/mol |
| IUPAC Name | 6-(butan-2-yl)-21',24'-dihydroxy-12'-({5-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-5,11',13',22'-tetramethyl-3',7',19'-trioxaspiro[oxane-2,6'-tetracyclo[15.6.1.1^{4,8}.0^{20,24}]pentacosane]-10',14',16',22'-tetraen-2'-one |
| SMILES String | CCC(C)C1OC7(CCC1C)CC4CC(CC=C(C)C(OC3CC(OC)C(OC2CC(OC)C(O)C(C)O2)C(C)O3)C(C)C=CC=C5COC6C(O)C(=CC(C(=O)O4)C56O)C)O7 |
| InChI | InChI=1S/C48H74O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38/h12-15,19,25-26,28,30-31,33-45,49-50,52H,11,16-18,20-24H2,1-10H3 |
| InChIKey | AZSNMRSAGSSBNP-UHFFFAOYSA-N |
Molecular Weight Description
The IVERMECTIN molecule consists of 74 Hydrogen atom(s), 48 Carbon atom(s), and 14 Oxygen atom(s) - a total of 136 atom(s). The molecular weight of IVERMECTIN is determined by the sum of the atomic weights of each constituent element multiplied by the number of atoms, which is calculated to be:
$$ 875.09276 · \frac{g}{mol} $$
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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- Name: ethanol
- CAS #: 64-17-5
- Formula: C2H5OH
- Smiles: CCO
- InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying IVERMECTIN Molecule
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Structure Data File (SDF/MOL File) of IVERMECTIN
The structure data file (SDF/MOL File) of IVERMECTIN is available for download in the SDF page of IVERMECTIN, which provides the information on atoms, bonds, connectivity and coordinates of IVERMECTIN. The IVERMECTIN 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 IVERMECTIN
The molecular structure image of IVERMECTIN is available in chemical structure page of IVERMECTIN, which provides the molecular geometry information, i.e., the spatial arrangement of atoms in IVERMECTIN and the chemical bonds that hold the atoms together.
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Chemical formula of IVERMECTIN
The molecular formula of IVERMECTIN is given in chemical formula page of IVERMECTIN, 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 IVERMECTIN
In addition to the molecular weight information, the structural information of IVERMECTIN in a textual expression is available via InChi. The full standard InChI of IVERMECTIN is given below:
InChI=1S/C48H74O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38/h12-15,19,25-26,28,30-31,33-45,49-50,52H,11,16-18,20-24H2,1-10H3
It can provide a way to encode the molecular information of IVERMECTIN 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 IVERMECTIN is:
InChIKey=AZSNMRSAGSSBNP-UHFFFAOYSA-N
It may allow easier web searches for IVERMECTIN. The InChIKey, however, needs to be linked to the full InChI as well in order to get back to the original structure of the IVERMECTIN as the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of IVERMECTIN
There may be different names of the IVERMECTIN compound depending on the various situations of industrial applications, which are given below including the registry numbers if available:
- Dihydroavermectin B1a
- IVERMECTIN
- 70288-86-7
- 22,23-Dihydroavermectin B1
IVERMECTIN Identification Summary Frequently Asked Questions (FAQs)
| What’s the formula of IVERMECTIN? |
|---|
| C48H74O14 |
| How many atoms and what are the elements in the IVERMECTIN molecule? |
| 136 atom(s) - 74 Hydrogen atom(s), 48 Carbon atom(s), and 14 Oxygen atom(s) |
| How many chemical bonds and what types of bonds are in the IVERMECTIN structure? |
| 142 bond(s) - 68 non-H bond(s), 5 multiple bond(s), 8 rotatable bond(s), 5 double bond(s), 1 five-membered ring(s), 5 six-membered ring(s), 1 nine-membered ring(s), 1 ester(s) (aliphatic), 3 hydroxyl group(s), 2 secondary alcohol(s), 1 tertiary alcohol(s), and 9 ether(s) (aliphatic) |
| What’s the molar mass of IVERMECTIN? |
| 875.09276 g/mol |
| What’s the SMILES format of IVERMECTIN? |
| CCC(C)C1OC7(CCC1C)CC4CC(CC=C(C)C(OC3CC(OC)C(OC2CC(OC)C(O)C(C)O2)C(C)O3)C(C)C=CC=C5COC6C(O)C(=CC(C(=O)O4)C56O)C)O7 |
| What’s the InChI format of IVERMECTIN? |
| InChI=1S/C48H74O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38/h12-15,19,25-26,28,30-31,33-45,49-50,52H,11,16-18,20-24H2,1-10H3 |
| What’s the InChIKey string of IVERMECTIN? |
| AZSNMRSAGSSBNP-UHFFFAOYSA-N |
1139
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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).