Sisomicin sulfate

C19H39N5O11SCAS 53179-09-2545.61 g/mol

Open in Covalent MOL file
HNHOOHOOONH2H2NNH2H2NOOHOSOOHHO
AcetalAlcoholAlkeneEtherPrimary amineSecondary amine

Properties

Molecular formula
C19H39N5O11S
Molar mass
545.61 g/mol
Exact mass
545.2367 Da
logP
-4.50Crippen estimate
Polar surface area
288.3 Ų
H-bond donors / acceptors
10 / 14
Rotatable bonds
6
Stereocentres
R, R, R, S, S, R, S, R, S, R, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
53179-09-2
SMILES
CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3OC(CN)=CC[C@H]3N)[C@@H](N)C[C@H]2N)OC[C@]1(C)O.O=S(=O)(O)O
InChIKey
JVTNJDPXUPRGIE-XMKQNZKISA-N
InChI
InChI=1S/C19H37N5O7.H2O4S/c1-19(27)7-28-18(13(26)16(19)24-2)31-15-11(23)5-10(22)14(12(15)25)30-17-9(21)4-3-8(6-20)29-17;1-5(2,3)4/h3,9-18,24-27H,4-7,20-23H2,1-2H3;(H2,1,2,3,4)/t9-,10+,11-,12+,13-,14-,15+,16-,17-,18-,19+;/m1./s1

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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-, 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-, sulfate (2:5) (salt)
  • Antibiotic 66-40 sulfate
  • Sissomicin sulfate
  • Sisomycin sulfate
  • Sisolline
  • Baymicin
  • Mensiso
  • Sisobiotic
  • Sisomin
  • Extramycin

Work with Sisomicin 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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Sisomicin32385-11-8Free base

Similar compounds

Netilmicin sulfate56391-57-285 % similar Geneticin sulfate108321-42-263 % similar Micronomicin sulfate66803-19-862 % similar Isepamicin sulfate67814-76-057 % similar Gentamicin sulfate1405-41-055 % similar Gentamicin1403-66-352 % similar Apramycin sulfate65710-07-837 % similar Kanamycin sulfate25389-94-035 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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