chempirical

Geneticin sulfate

C20H42N4O14SCAS 108321-42-2594.63 g/mol

Open in Covalent MOL file
HNHOOHOOOHOOHOHH2NNH2H2NOOHOSOHOOH
AcetalAlcoholEtherPrimary amineSecondary amine

Properties

Molecular formula
C20H42N4O14S
Molar mass
594.63 g/mol
Exact mass
594.2418 Da
logP
-6.27Crippen estimate
Polar surface area
323.0 Ų
H-bond donors / acceptors
12 / 16
Rotatable bonds
6
Stereocentres
R, R, R, S, S, R, S, R, R, S, R, 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. Search the SDS library

Identifiers

CAS number
108321-42-2
SMILES
CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3O[C@H]([C@@H](C)O)[C@@H](O)[C@H](O)[C@H]3N)[C@@H](N)C[C@H]2N)OC[C@]1(C)O.O=S(=O)(O)O
InChIKey
QNQZPJLBGRQFDD-ZMSORURPSA-N
InChI
InChI=1S/C20H40N4O10.H2O4S/c1-6(25)14-11(27)10(26)9(23)18(32-14)33-15-7(21)4-8(22)16(12(15)28)34-19-13(29)17(24-3)20(2,30)5-31-19;1-5(2,3)4/h6-19,24-30H,4-5,21-23H2,1-3H3;(H2,1,2,3,4)/t6-,7+,8-,9-,10-,11+,12+,13-,14-,15-,16+,17-,18-,19-,20+;/m1./s1

Weigh it out

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

Names and synonyms

4 names
  • D-Streptamine, O-2-amino-2,7-dideoxy-D-glycero-α-D-gluco-heptopyranosyl-(1→4)-O-[3-deoxy-4-C-methyl-3-(methylamino)-β-L-arabinopyranosyl-(1→6)]-2-deoxy-, sulfate (1:2)
  • D-Streptamine, O-2-amino-2,7-dideoxy-D-glycero-α-D-gluco-heptopyranosyl-(1→4)-O-[3-deoxy-4-C-methyl-3-(methylamino)-β-L-arabinopyranosyl-(1→6)]-2-deoxy-, sulfate (1:2) (salt)
  • Antibiotic G 418 sulfate
  • G 418 Sulfate

Work with Geneticin 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

Micronomicin sulfate66803-19-866 % similar Sisomicin sulfate53179-09-263 % similar Gentamicin sulfate1405-41-058 % similar Gentamicin1403-66-357 % similar Netilmicin sulfate56391-57-255 % similar Isepamicin sulfate67814-76-055 % similar Sisomicin32385-11-853 % similar Apramycin sulfate65710-07-845 % similar

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

Elsewhere

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