Cas no 362045-44-1 (Etimicin Sulphate)

Etimicin Sulphate structure
Etimicin Sulphate structure
Product Name:Etimicin Sulphate
CAS No:362045-44-1
MF:C21H45N5O11S
MW:575.673905134201
CID:821962
Update Time:2026-04-29

Etimicin Sulphate Chemical and Physical Properties

Names and Identifiers

    • Etimicin Sulphate
    • Etimycin Sulfate
    • Etimicin sulfate
    • O-3-Deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl-(1-6)-O-[2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranosyl-(1-4)]-2-deoxy-N1-ethyl-D-streptamine sulfate
    • 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
    • InChI Key: OEBISAUVQBGQKC-ZIZSAZPJSA-N
    • SMILES: CCN[C@@H]1C[C@@H]([C@H]([C@@H]([C@H]1O[C@@H]2[C@@H]([C@H]([C@](C)(CO2)O)NC)O)O)O[C@@H]3[C@@H](CC[C@@H](CN)O3)N)N.OS(=O)(=O)O

Computed Properties

  • Exact Mass: 575.28400
  • Hydrogen Bond Donor Count: 10
  • Hydrogen Bond Acceptor Count: 16
  • Heavy Atom Count: 38
  • Rotatable Bond Count: 8

Experimental Properties

  • PSA: 282.71000
  • LogP: -0.01520
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