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Etimicin sulfate

CAT: 0931-T75299-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T75299-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
362045-44-1
Target
Others, Antibiotic
Related Pathways
Microbiology/Virology, Others
Bioactivity
Etimicin sulfate, a fourth-generation aminoglycoside antibiotic, is now widely used in clinical settings because of its high efficacy and low toxicity.
Smiles
S(=O)(=O)(O)O.O([C@H]1[C@H](NCC)C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)CC[C@H]2N)[C@@H]1O)[C@@H]3[C@H](O)[C@@H](NC)[C@@](C)(O)CO3
Molecular Formula
C21H43N5O7.xH2O4S
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Etimicin sulfate
CAS Number362045-44-1
PubChem CID72710734
IUPAC Name(2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4-amino-3-[(2R,3R,6S)-3-amino-6-(aminomethyl)oxan-2-yl]oxy-6-(ethylamino)-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol;sulfuric acid
Molecular FormulaC21H45N5O11S
Molecular Weight575.7
Topological Polar Surface Area283
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count16
Rotatable Bond Count8
Heavy Atom Count38
Formal Charge0
Complexity703
SMILES
CCN[C@@H]1C[C@@H]([C@H]([C@@H]([C@H]1O[C@@H]2[C@@H]([C@H]([C@@](CO2)(C)O)NC)O)O)O[C@@H]3[C@@H](CC[C@H](O3)CN)N)N.OS(=O)(=O)O
InChI
InChI=1S/C21H43N5O7.H2O4S/c1-4-26-13-7-12(24)16(32-19-11(23)6-5-10(8-22)31-19)14(27)17(13)33-20-15(28)18(25-3)21(2,29)9-30-20;1-5(2,3)4/h10-20,25-29H,4-9,22-24H2,1-3H3;(H2,1,2,3,4)/t10-,11+,12-,13+,14-,15+,16+,17-,18+,19+,20+,21-;/m0./s1
InChIKey
OEBISAUVQBGQKC-ZIZSAZPJSA-N
Chemical Structure
2D Structure
2D structure of Etimicin sulfate
CAS: 362045-44-1
CID: 72710734
Formula: C21H45N5O11S
MW: 575.7
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight575.7
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count16
Rotatable Bond Count8
Exact Mass575.28362844
Monoisotopic Mass575.28362844
Topological Polar Surface Area283 Ų
Heavy Atom Count38
Formal Charge0
Complexity703
Isotope Atom Count0
Defined Atom Stereocenter Count12
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes