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Structure of Arbekacin (C22H44N6O10)

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2D chemical structure image of Arbekacin
Chemical Formula C22H44N6O10
Molecular Weight 552.61896 g/mol
IUPAC Name (2S)-4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-2-{[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-{[(2R,3R,6S)-3-amino-6-(aminomethyl)oxan-2-yl]oxy}-3-hydroxycyclohexyl]-2-hydroxybutanamide
SMILES String NCCC(O)C(=O)NC2CC(N)C(OC1OC(CN)CCC1N)C(O)C2OC3OC(CO)C(O)C(N)C3O
InChI InChI=1S/C22H44N6O10/c23-4-3-12(30)20(34)28-11-5-10(26)18(37-21-9(25)2-1-8(6-24)35-21)17(33)19(11)38-22-16(32)14(27)15(31)13(7-29)36-22/h8-19,21-22,29-33H,1-7,23-27H2,(H,28,34)/t8-,9+,10-,11+,12-,13+,14-,15+,16+,17-,18+,19-,21+,22+/m0/s1
InChIKey MKKYBZZTJQGVCD-XTCKQBCOSA-N
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Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The Arbekacin molecule contains a total of 84 bond(s). There are 40 non-H bond(s), 1 multiple bond(s), 10 rotatable bond(s), 1 double bond(s), 3 six-membered ring(s), 1 secondary amide(s) (aliphatic), 5 primary amine(s) (aliphatic), 5 hydroxyl group(s), 1 primary alcohol(s), 4 secondary alcohol(s), and 4 ether(s) (aliphatic). Images of the chemical structure of Arbekacin are given below:

2D chemical structure image of Arbekacin
2-dimensional (2D) chemical structure image of Arbekacin
3D chemical structure image of Arbekacin
3-dimensional (3D) chemical structure image of Arbekacin

The 2D chemical structure image of Arbekacin is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of Arbekacin are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.

The 3D chemical structure image of Arbekacin is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of Arbekacin. Download structure data file (SDF/MOL) file of this compound.


Interactive 3D Visualization

For a better understanding of the chemical structure, an interactive 3D visualization of Arbekacin is provided here.

The Arbekacin molecule shown in the visualization screen can be rotated interactively by keep clicking and moving the mouse button. Mouse wheel zoom is available as well – the size of the Arbekacin molecule can be increased or decreased by scrolling the mouse wheel.

The information of the atoms, bonds, connectivity and coordinates included in the chemical structure of Arbekacin can easily be identified by this visualization. By right-clicking the visualization screen, various other options are available including the visualization of van der Waals surface and exporting to an image file.


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  • CAS #: 64-17-5
  • Formula: C2H5OH
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  • InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N

Additional Information for Identifying Arbekacin Molecule

  • SMILES (Simplified Molecular-Input Line-Entry System) string of Arbekacin

    The SMILES string of Arbekacin is NCCC(O)C(=O)NC2CC(N)C(OC1OC(CN)CCC1N)C(O)C2OC3OC(CO)C(O)C(N)C3O, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Arbekacin.

  • Structure Data File (SDF/MOL File) of Arbekacin

    The structure data file (SDF/MOL File) of Arbekacin is available for download in the SDF page of Arbekacin, which provides the information about the atoms, bonds, connectivity and coordinates of Arbekacin. The Arbekacin structure data file can be imported to most of the cheminformatics software systems and applications.

  • Chemical formula of Arbekacin

    The molecular formula of Arbekacin is available in chemical formula page of Arbekacin, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

  • Molecular weight of Arbekacin

    The molecular weight of Arbekacin is available in molecular weight page of Arbekacin, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.

  • Other names (synonyms) or registry numbers of Arbekacin

    The Arbekacin compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of Arbekacin including the various registry numbers, if available:

    • O-3-Amino-3-deoxy-alpha-D-glucopyranosyl-(1-4)-O-(2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranosyl-(1-6))-N'-((2S)-4-amino-2-hydroxybutyryl)-2-deoxy-L-streptamine
    • O-3-Amino-3-deoxy-alpha-D-glucopyranosyl-(1->4)-O-(2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranosyl-(1->6))-N'-((2S)-4-amino-2-hydroxybutyryl)-2-deoxy-L-streptamine
    • Butanamide, 4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-2-[(3-amino-3-deoxy-.alpha.-D-glucopyranosyl)oxy]-4-[(2,6-diamino-2,3,4,6-tetradeoxy-.alpha.-D-erythro-hexopyranosyl)oxy]-3-hydroxycyclohexyl]-2-hydroxy-, (2S)-
    • (2S)-4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-4-[(2R,3R,6S)-3-amino-6-(aminomethyl)tetrahydropyran-2-yl]oxy-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-3-hydroxy-cyclohexyl]-2-hydroxy-butanamide
    • (2S)-4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-2-(3-amino-3-deoxy-alpha-D-glucopyranosyloxy)-4-(2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranosyloxy)-3-hydroxycyclohexyl]-2-hydroxybutanamide
    • C-23201
    • D07462
    • AR-1A3304
    • KST-1A5312
    • NPC-14
    • GTPL7345
    • AHB-3'
    • Habekacin (Arbekacin sulfate)
    • G7V6SLI20L
    • DKB-AHB
    • AHB-DKB
    • 4'-Dideoxykanamycin B
    • HABA-DKB
    • C22H44N6O10
    • Arbekacini Sulfas
    • D-Streptamine, O-3-amino-3-deoxy-alpha-D-glucopyranosyl-(1-6)-O-(2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranosyl-(1-4))-N1-(4-amino-2-hydroxy-1-oxobutyl)-2-deoxy-, (S)-
    • D-Streptamine, O-3-amino-3-deoxy-alpha-D-glucopyranosyl-(1-6)-O-(2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranosyl-(1-4))-N(sup 1)-(4-amino-2-hydroxy-1-oxobutyl)-2-deoxy-, (S)-
    • (2S)-4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-4-[(2R,3R,6S)-3-amino-6-(aminomethyl)oxan-2-yl]oxy-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide
    • (2s)-4-amino-n-{(1r,2s,3s,4r,5s)-5-amino-2-[(3-amino-3-deoxy-|A-d-glucopyranosyl)oxy]-4-[(2,6-diamino-2,3,4,6-tetradeoxy-|A-d-erythro-hexopyranosyl)oxy]-3-hydroxycyclohexyl}-2-hydroxybutanamide
    • Arbekacin (INN)
    • 51025-85-5
    • Arbekacin [INN]
    • Arbekacina [Spanish]
    • Arbekacinum [Latin]
    • Arbekacine [French]
    • Arbekacine
    • Arbekacina
    • Arbekacinum
    • Haberacin
    • Arbekacin

Arbekacin Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of Arbekacin?
C22H44N6O10
How many atoms and what are the elements included the Arbekacin molecule?
82 atom(s) - 44 Hydrogen atom(s), 22 Carbon atom(s), 6 Nitrogen atom(s), and 10 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the Arbekacin structure?
84 bond(s) - 40 non-H bond(s), 1 multiple bond(s), 10 rotatable bond(s), 1 double bond(s), 3 six-membered ring(s), 1 secondary amide(s) (aliphatic), 5 primary amine(s) (aliphatic), 5 hydroxyl group(s), 1 primary alcohol(s), 4 secondary alcohol(s), and 4 ether(s) (aliphatic)
What’s the Arbekacin’s molecular weight?
552.61896 g/mol
What’s the SMILES code of Arbekacin?
NCCC(O)C(=O)NC2CC(N)C(OC1OC(CN)CCC1N)C(O)C2OC3OC(CO)C(O)C(N)C3O
What’s the InChI string of Arbekacin?
InChI=1S/C22H44N6O10/c23-4-3-12(30)20(34)28-11-5-10(26)18(37-21-9(25)2-1-8(6-24)35-21)17(33)19(11)38-22-16(32)14(27)15(31)13(7-29)36-22/h8-19,21-22,29-33H,1-7,23-27H2,(H,28,34)/t8-,9+,10-,11+,12-,13+,14-,15+,16+,17-,18+,19-,21+,22+/m0/s1
What’s the InChIKey code of Arbekacin?
MKKYBZZTJQGVCD-XTCKQBCOSA-N