chempirical

Arbekacin

C22H44N6O10CAS 51025-85-5552.63 g/mol

Open in Covalent MOL file
H2NOHOHNNH2OONH2NH2OHOOHOHOH2NOH
AcetalAlcoholEtherPrimary amine

Properties

Molecular formula
C22H44N6O10
Molar mass
552.63 g/mol
Exact mass
552.3119 Da
logP
-5.56Crippen estimate
Polar surface area
300.8 Ų
H-bond donors / acceptors
11 / 15
Rotatable bonds
10
Stereocentres
S, R, S, R, R, S, R, S, S, S, R, S, S, 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
51025-85-5
SMILES
NCC[C@H](O)C(O)=N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)CC[C@H]2N)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](N)[C@H]1O
InChIKey
MKKYBZZTJQGVCD-XTCKQBCOSA-N
InChI
InChI=1S/C22H44N6O10/c23-4-3-12(30)20(34)28-11-5-10(26)18(37-21-9(25)2-1-8(6-24)35-21)17(33)19(11)38-22-16(32)14(27)15(31)13(7-29)36-22/h8-19,21-22,29-33H,1-7,23-27H2,(H,28,34)/t8-,9+,10-,11+,12-,13+,14-,15+,16+,17-,18+,19-,21+,22+/m0/s1

Weigh it out

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

Names and synonyms

10 names
  • D-Streptamine, O-3-amino-3-deoxy-α-D-glucopyranosyl-(1→6)-O-[2,6-diamino-2,3,4,6-tetradeoxy-α-D-erythro-hexopyranosyl-(1→4)]-N1-[(2S)-4-amino-2-hydroxy-1-oxobutyl]-2-deoxy-
  • O-3-Amino-3-deoxy-α-D-glucopyranosyl-(1→6)-O-[2,6-diamino-2,3,4,6-tetradeoxy-α-D-erythro-hexopyranosyl-(1→4)]-N1-[(2S)-4-amino-2-hydroxy-1-oxobutyl]-2-deoxy-D-streptamine
  • 1-N-[(S)-4-Amino-2-hydroxybutyryl]-3′,4′-dideoxykanamycin B
  • HBK
  • 1665RB
  • HABA-DKB
  • AHB-DKB
  • Arbecacin
  • ME 1100
  • ME1100

Work with Arbekacin

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

Amikacin37517-28-582 % similar Amikacin sulfate39831-55-573 % similar Tobramycin32986-56-452 % similar Kanamycin A59-01-851 % similar Kanamycin B4696-76-850 % similar Amikacin sulfate salt149022-22-049 % similar Tobramycin sulfate49842-07-147 % similar Tobramycin sulfate79645-27-547 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook