chempirical

Kanamycin B

C18H37N5O10CAS 4696-76-8483.52 g/mol

Open in Covalent MOL file
NH2OOHOOOOHOHNH2HONH2H2NH2NHOHO
AcetalAlcoholEtherPrimary amine

Properties

Molecular formula
C18H37N5O10
Molar mass
483.52 g/mol
Exact mass
483.2540 Da
Melting point
178–182 °C (decomposes)
logP
-7.33Crippen estimate
Polar surface area
288.4 Ų
H-bond donors / acceptors
11 / 15
Rotatable bonds
6
Stereocentres
R, R, R, S, S, S, R, S, S, R, R, S, R, R, Sin SMILES atom order

Identifiers

CAS number
4696-76-8
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@@H](O)[C@@H]1O
InChIKey
SKKLOUVUUNMCJE-FQSMHNGLSA-N
InChI
InChI=1S/C18H37N5O10/c19-2-6-11(26)12(27)9(23)17(30-6)32-15-4(20)1-5(21)16(14(15)29)33-18-13(28)8(22)10(25)7(3-24)31-18/h4-18,24-29H,1-3,19-23H2/t4-,5+,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

11 names
  • D-Streptamine, O-3-amino-3-deoxy-α-D-glucopyranosyl-(1→6)-O-[2,6-diamino-2,6-dideoxy-α-D-glucopyranosyl-(1→4)]-2-deoxy-
  • O-3-Amino-3-deoxy-α-D-glucopyranosyl-(1→6)-O-[2,6-diamino-2,6-dideoxy-α-D-glucopyranosyl-(1→4)]-2-deoxy-D-streptamine
  • Kanendomycin
  • Aminodeoxykanamycin
  • 2′-Amino-2′-deoxykanamycin
  • Bekanamycin
  • KDM
  • NK 1006
  • Nebramycin V
  • Nebramycin factor 5
  • Beckanamycin

Work with Kanamycin B

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 A59-01-891 % similar Tobramycin32986-56-479 % similar Kanamycin sulfate25389-94-076 % similar Ribostamycin sulfate53797-35-670 % similar Tobramycin sulfate49842-07-167 % similar Tobramycin sulfate79645-27-567 % similar Paromomycin sulfate1263-89-465 % similar Neomycin B sulfate4146-30-963 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook