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Gentamicin Impurity 4

CAT: 1299-RM-G051415-04Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-G051415-04Size:100 mg
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CAS Number
59751-72-3
Synonyms
(2R,3R,4R,5R) -2- (((1S,2S,3R,4S,6R) -4,6-diamino-3- (((2R,3R,6S) -3-amino-6- ((S) -1-aminoethyl) tetrahydro-2H-pyran-2-yl) oxy) -2-hydroxycyclohexyl) oxy) -5-methyl-4- (methylamino) tetrahydro-2H-pyran-3,5-diol
Molecular Formula
C20H41N5O7
Molecular Weight
463.58
Target Alternative Name
Gentamicin
Product Name Synonym
(2R,3R,4R,5R) -2- (((1S,2R,3R,4S,6R) -4,6-diamino-3- (((3R,6S) -3-amino-6- ((S) -1-aminoethyl) tetrahydro-2H-pyran-2-yl) oxy) -2-hydroxycyclohexyl) oxy) -5-methyl-4- (methylamino) tetrahydro-2H-pyran-3,5-diol

Chemical Information

Gentamicin C2a
CAS Number59751-72-3
PubChem CID12799056
IUPAC Name(2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,6S)-3-amino-6-[(1S)-1-aminoethyl]oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol
Molecular FormulaC20H41N5O7
Molecular Weight463.6
XLogP-4.6
Topological Polar Surface Area214
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count12
Rotatable Bond Count6
Heavy Atom Count32
Formal Charge0
Complexity621
SMILES
C[C@@H]([C@@H]1CC[C@H]([C@H](O1)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@](CO3)(C)O)NC)O)N)N)N)N
InChI
InChI=1S/C20H41N5O7/c1-8(21)12-5-4-9(22)18(30-12)31-15-10(23)6-11(24)16(13(15)26)32-19-14(27)17(25-3)20(2,28)7-29-19/h8-19,25-28H,4-7,21-24H2,1-3H3/t8-,9+,10-,11+,12-,13-,14+,15+,16-,17+,18+,19+,20-/m0/s1
InChIKey
XUFIWSHGXVLULG-BSBKYKEKSA-N
Chemical Structure
2D Structure
2D structure of Gentamicin C2a
CAS: 59751-72-3
CID: 12799056
Formula: C20H41N5O7
MW: 463.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight463.6
XLogP3-4.6
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count12
Rotatable Bond Count6
Exact Mass463.30059866
Monoisotopic Mass463.30059866
Topological Polar Surface Area214 Ų
Heavy Atom Count32
Formal Charge0
Complexity621
Isotope Atom Count0
Defined Atom Stereocenter Count13
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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