chempirical

Sisomicin sulfate

C19H39N5O11SCAS 53179-09-2545.61 g/mol

Open in Covalent MOL file
HNHOOHOOONH2H2NNH2H2NOOHOSOHOOH
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

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

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-, 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

Similar compounds

Sisomicin32385-11-888 % similar 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

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook