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Gentamicin C2

CAT: 0013-GTR19255723-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19255723-01Size:50 mg
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Description
Gentamicin C2 is an aminoglycoside antibiotic.
CAS Number
25876-11-3
Field of Research
Infectious Disease & Virology
Smiles
O ([C@@H]1[C@@H] (O) [C@H] (O[C@H]2O[C@] ([C@@H] (C) N) (CC[C@H]2N) [H]) [C@@H] (N) C[C@H]1N) [C@@H]3[C@H] (O) [C@@H] (NC) [C@@] (C) (O) CO3
Molecular Formula
C20H41N5O7
Molecular Weight
463.569
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Gentamicin C2

Gentamicin C2 is one of the major components of the gentamicin complex. Gentamicin C2 has a methyl group at the 6' position of the 2-amino-hexose ring, along with a free amine.

CAS Number25876-11-3
PubChem CID72397
IUPAC Name(2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,6S)-3-amino-6-[(1R)-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+/m1/s1
InChIKey
XUFIWSHGXVLULG-IDLVJFIQSA-N
Chemical Structure
2D Structure
2D structure of Gentamicin C2
CAS: 25876-11-3
CID: 72397
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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