chempirical

Neomycin

C23H46N6O13CAS 1404-04-2614.65 g/mol

Open in Covalent MOL file
H2NOOH2NHOHONH2OOOHOOH2NOHOHH2NHOOHNH2
AcetalAlcoholEtherPrimary amine

Properties

Molecular formula
C23H46N6O13
Molar mass
614.65 g/mol
Exact mass
614.3123 Da
Melting point
250 °C (decomposes)
logP
-8.90Crippen estimate
Polar surface area
353.1 Ų
H-bond donors / acceptors
13 / 19
Rotatable bonds
9
Stereocentres
R, S, R, R, S, R, R, R, S, R, S, R, S, R, R, R, R, S, Sin 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
1404-04-2
SMILES
C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)CN)O)O)N)O)O)N
InChIKey
PGBHMTALBVVCIT-VCIWKGPPSA-N
InChI
InChI=1S/C23H46N6O13/c24-2-7-13(32)15(34)10(28)21(37-7)40-18-6(27)1-5(26)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(29)16(35)14(33)8(3-25)38-22/h5-23,30-36H,1-4,24-29H2/t5-,6+,7-,8+,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/m1/s1

Weigh it out

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

Names and synonyms

8 names
  • Myacyne
  • Fradiomycin
  • Bycomycin
  • Jernadex
  • Vonamycin powder V
  • Neomin
  • Pimavecort
  • Neomas

Work with Neomycin

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Neomycin sulfate1405-10-3Salt Neomycin B sulfate4146-30-9Salt

Similar compounds

Paromomycin sulfate1263-89-483 % similar Ribostamycin sulfate53797-35-675 % similar Kanamycin B4696-76-873 % similar Kanamycin A59-01-866 % similar Tobramycin32986-56-457 % similar Kanamycin sulfate25389-94-057 % similar 6-Monodeoxy-6-monoamino-beta-cyclodextrine29390-67-854 % similar Chitosan oligosaccharide lactate148411-57-854 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook