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

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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