Apramycin sulfate

C₂₁H₄₃N₅O₁₅SCAS 65710-07-8637.66 g/mol

Open in Covalent MOL file

Acetal Alcohol Ether Primary amine Secondary amine

Properties

Molecular formula: C₂₁H₄₃N₅O₁₅S
Molar mass: 637.66 g/mol
Exact mass: 637.2476 Da
logP: -7.60Crippen estimate
Polar surface area: 358.2 Å²
H-bond donors / acceptors: 13 / 18
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

Danger

H315 Causes skin irritation12.8% of notifiers
H319 Causes serious eye irritation10.6% of notifiers
H360 May damage fertility or the unborn child89.4% of notifiers

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P264, P264+P265, P280, P302+P352, P305+P351+P338, P318, P321, P332+P317, P337+P317, P362+P364, P405, P501

Identifiers

CAS number

65710-07-8

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.O=S(=O)(O)O

InChIKey

WGLYHYWDYPSNPF-RQFIXDHTSA-N

InChI

InChI=1S/C21H41N5O11.H2O4S/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;1-5(2,3)4/h5-21,26-32H,2-4,22-25H2,1H3;(H2,1,2,3,4)/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

2 names

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-, sulfate (1:?)
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-, sulfate (salt)

Work with Apramycin 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

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.

Apramycin37321-09-8Free base Apramycin41194-16-5Free base

Similar compounds

Tobramycin sulfate49842-07-156 % similar Tobramycin sulfate79645-27-556 % similar Ribostamycin sulfate53797-35-654 % similar Kanamycin sulfate25389-94-053 % similar Neomycin sulfate1405-10-353 % similar Neomycin B sulfate4146-30-953 % similar Paromomycin sulfate1263-89-452 % similar Geneticin sulfate108321-42-245 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook