chempirical

Tobramycin sulfate

C18H39N5O13SCAS 79645-27-5565.59 g/mol

Open in Covalent MOL file
NH2OOHOOOOHOHNH2HONH2H2NH2NHOOSOHOOH
AcetalAlcoholEtherPrimary amine

Properties

Molecular formula
C18H39N5O13S
Molar mass
565.59 g/mol
Exact mass
565.2265 Da
logP
-6.95Crippen estimate
Polar surface area
342.8 Ų
H-bond donors / acceptors
12 / 16
Rotatable bonds
6
Stereocentres
R, R, R, S, S, S, R, S, S, R, R, S, R, Sin SMILES atom order

Identifiers

CAS number
79645-27-5
SMILES
NC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H](N)C[C@@H]2N)[C@H](N)C[C@@H]1O.O=S(=O)(O)O
InChIKey
ZEUUPKVZFKBXPW-TWDWGCDDSA-N
InChI
InChI=1S/C18H37N5O9.H2O4S/c19-3-9-8(25)2-7(22)17(29-9)31-15-5(20)1-6(21)16(14(15)28)32-18-13(27)11(23)12(26)10(4-24)30-18;1-5(2,3)4/h5-18,24-28H,1-4,19-23H2;(H2,1,2,3,4)/t5-,6+,7+,8-,9+,10+,11-,12+,13+,14-,15+,16-,17+,18+;/m0./s1

Weigh it out

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

Names and synonyms

12 names
  • D-Streptamine, O-3-amino-3-deoxy-α-D-glucopyranosyl-(1→6)-O-[2,6-diamino-2,3,6-trideoxy-α-D-ribo-hexopyranosyl-(1→4)]-2-deoxy-, sulfate (2:5)
  • D-Streptamine, O-3-amino-3-deoxy-α-D-glucopyranosyl-(1→6)-O-[2,6-diamino-2,3,6-trideoxy-α-D-ribo-hexopyranosyl-(1→4)]-2-deoxy-, sulfate (2:5) (salt)
  • Nebcin
  • Tenemicin
  • Obracin
  • 1-Epitobramycin sulfate
  • Gernebcin
  • Distobram
  • Tobi
  • Nebicina
  • Tobra
  • Tobrate

Work with Tobramycin 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

Kanamycin sulfate25389-94-085 % similar Tobramycin32986-56-484 % similar Kanamycin A59-01-870 % similar Ribostamycin sulfate53797-35-669 % similar Kanamycin B4696-76-867 % similar Paromomycin sulfate1263-89-465 % similar Neomycin sulfate1405-10-363 % similar Neomycin B sulfate4146-30-963 % similar

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

Same formula

Tobramycin sulfate49842-07-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook