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Amikacin impurity 2

CAT: 0013-GTR19281183-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19281183-01Size:10 mg
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Description
Amikacin impurity 2 (compound Impurity VI) is an impurity found in Amikacin sulfate.
CAS Number
1793053-92-5
Smiles
O ([C@H]1[C@H] (NC ([C@H] (CCN) O) =O) C[C@H] (N) [C@@H] (O) [C@@H]1O) [C@H]2O[C@H] (CO) [C@@H] (O) [C@H] (N) [C@H]2O
Molecular Formula
C16H32N4O9
Molecular Weight
424.45
Notes
For research use only.

Chemical Information

Amikacin Impurity 10
CAS Number1793053-92-5
PubChem CID67891895
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-3,4-dihydroxycyclohexyl]-2-hydroxybutanamide
Molecular FormulaC16H32N4O9
Molecular Weight424.45
XLogP-6
Topological Polar Surface Area247
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count12
Rotatable Bond Count7
Heavy Atom Count29
Formal Charge0
Complexity545
SMILES
C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1NC(=O)[C@H](CCN)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)N)O)O)O)N
InChI
InChI=1S/C16H32N4O9/c17-2-1-7(22)15(27)20-6-3-5(18)10(23)13(26)14(6)29-16-12(25)9(19)11(24)8(4-21)28-16/h5-14,16,21-26H,1-4,17-19H2,(H,20,27)/t5-,6+,7-,8+,9-,10+,11+,12+,13-,14-,16+/m0/s1
InChIKey
HMOKJJPLZODRRD-BCUZZYETSA-N
Chemical Structure
2D Structure
2D structure of Amikacin Impurity 10
CAS: 1793053-92-5
CID: 67891895
Formula: C16H32N4O9
MW: 424.45
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight424.45
XLogP3-6
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count12
Rotatable Bond Count7
Exact Mass424.21692861
Monoisotopic Mass424.21692861
Topological Polar Surface Area247 Ų
Heavy Atom Count29
Formal Charge0
Complexity545
Isotope Atom Count0
Defined Atom Stereocenter Count11
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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