chempirical

Netilmicin sulfate

C21H43N5O11SCAS 56391-57-2573.66 g/mol

Open in Covalent MOL file
HNNH2OONH2NH2OHOOHOHNOHOSOHOOH
AcetalAlcoholAlkeneEtherPrimary amineSecondary amine

Properties

Molecular formula
C21H43N5O11S
Molar mass
573.66 g/mol
Exact mass
573.2680 Da
logP
-3.85Crippen estimate
Polar surface area
274.3 Ų
H-bond donors / acceptors
10 / 14
Rotatable bonds
8
Stereocentres
R, S, R, S, R, S, S, R, R, R, Rin SMILES atom order

Identifiers

CAS number
56391-57-2
SMILES
CCN[C@@H]1C[C@H](N)[C@@H](O[C@H]2OC(CN)=CC[C@H]2N)[C@H](O)[C@H]1O[C@H]1OC[C@](C)(O)[C@H](NC)[C@H]1O.O=S(=O)(O)O
InChIKey
PQHZSWZPVGHDEZ-UIQTUGNFSA-N
InChI
InChI=1S/C21H41N5O7.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/h5,11-20,25-29H,4,6-9,22-24H2,1-3H3;(H2,1,2,3,4)/t11-,12+,13-,14+,15-,16-,17+,18-,19-,20-,21+;/m1./s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

11 names
  • D-Streptamine, O-3-deoxy-4-C-methyl-3-(methylamino)-β-L-arabinopyranosyl-(1→6)-O-[2,6-diamino-2,3,4,6-tetradeoxy-α-D-glycero-hex-4-enopyranosyl-(1→4)]-2-deoxy-N1-ethyl-, sulfate (2:5)
  • D-Streptamine, O-3-deoxy-4-C-methyl-3-(methylamino)-β-L-arabinopyranosyl-(1→6)-O-[2,6-diamino-2,3,4,6-tetradeoxy-α-D-glycero-hex-4-enopyranosyl-(1→4)]-2-deoxy-N1-ethyl-, sulfate (2:5) (salt)
  • Netillin
  • Certomycin
  • Vectacin
  • Zetamicin
  • Netilyn
  • Nettacin
  • Netromicine
  • Naitimixing
  • Netiline

Work with Netilmicin sulfate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Sisomicin sulfate53179-09-285 % similar Sisomicin32385-11-874 % similar Geneticin sulfate108321-42-255 % similar Micronomicin sulfate66803-19-854 % similar Isepamicin sulfate67814-76-052 % similar Gentamicin sulfate1405-41-048 % similar Gentamicin1403-66-345 % similar Apramycin sulfate65710-07-832 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook