chempirical

Apramycin

C21H41N5O11CAS 37321-09-8539.58 g/mol

Open in Covalent MOL file
HNOOHOH2NOHOHONH2OOHOHNH2H2NOOH
AcetalAlcoholEtherPrimary amineSecondary amine

Properties

Molecular formula
C21H41N5O11
Molar mass
539.58 g/mol
Exact mass
539.2803 Da
logP
-6.95Crippen estimate
Polar surface area
283.6 Ų
H-bond donors / acceptors
11 / 16
Rotatable bonds
6
Stereocentres
S, R, R, S, S, S, R, S, R, S, R, R, S, R, S, R, Rin SMILES atom order

Hazards

Warning
Irritant (GHS07)Environmental Hazard (GHS09)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P273, P280, P302+P352, P321, P332+P317, P362+P364, P391, P501

Identifiers

CAS number
37321-09-8
SMILES
CN[C@@H]1[C@@H](O[C@H]2O[C@H](CO)[C@@H](N)[C@H](O)[C@H]2O)O[C@H]2C[C@@H](N)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](N)C[C@@H]3N)O[C@@H]2[C@@H]1O
InChIKey
XZNUGFQTQHRASN-XQENGBIVSA-N
InChI
InChI=1S/C21H41N5O11/c1-26-11-14(30)18-8(33-20(11)37-21-16(32)13(29)10(25)9(4-27)34-21)3-7(24)19(36-18)35-17-6(23)2-5(22)12(28)15(17)31/h5-21,26-32H,2-4,22-25H2,1H3/t5-,6+,7-,8+,9-,10-,11+,12+,13+,14-,15-,16-,17-,18+,19+,20-,21-/m1/s1

Weigh it out

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

Names and synonyms

13 names · show all
  • D-Streptamine, O-4-amino-4-deoxy-α-D-glucopyranosyl-(1→8)-O-(8R)-2-amino-2,3,7-trideoxy-7-(methylamino)-D-glycero-α-D-allo-octodialdo-1,5:8,4-dipyranosyl-(1→4)-2-deoxy-
  • Pyrano[3,2-b]pyran, D-streptamine deriv.
  • O-4-Amino-4-deoxy-α-D-glucopyranosyl-(1→8)-O-(8R)-2-amino-2,3,7-trideoxy-7-(methylamino)-D-glycero-α-D-allo-octodialdo-1,5:8,4-dipyranosyl-(1→4)-2-deoxy-D-streptamine
  • Nebramycin II
  • Ambylan
  • EL 857
  • Nebramycin factor 2
  • Apralan
  • Apralan 200 injection
  • Apralan soluble
  • Apralan solubile
  • Apralin
  • EL 857/820

Work with Apramycin

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.

Apramycin sulfate65710-07-8Salt Apramycin41194-16-5

Similar compounds

Tobramycin32986-56-450 % similar Kanamycin B4696-76-848 % similar Neomycin1404-04-247 % similar Kanamycin A59-01-847 % similar Tobramycin sulfate49842-07-144 % similar Tobramycin sulfate79645-27-544 % similar Ribostamycin sulfate53797-35-642 % similar Neomycin sulfate1405-10-342 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook