Neomycin B sulfate

C₂₃H₄₈N₆O₁₇SCAS 4146-30-9712.72 g/mol

Open in Covalent MOL file

Acetal Alcohol Ether Primary amine

Properties

Molecular formula: C₂₃H₄₈N₆O₁₇S
Molar mass: 712.72 g/mol
Exact mass: 712.2797 Da
logP: -9.55Crippen estimate
Polar surface area: 427.7 Å²
H-bond donors / acceptors: 15 / 21
Rotatable bonds: 9
Stereocentres: S, R, S, R, S, R, S, R, S, R, R, R, S, R, R, R, R, R, Sin SMILES atom order

Hazards

Danger

H317 May cause an allergic skin reaction95.7% of notifiers
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled40.1% of notifiers
H335 May cause respiratory irritation46.2% of notifiers
H361 Suspected of damaging fertility or the unborn child21.8% of notifiers
H412 Harmful to aquatic life with long lasting effects10.5% of notifiers

Aggregated from 372 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P233, P260, P261, P271, P272, P273, P280, P284, P302+P352, P304+P340, P318, P319, P321, P333+P317, P342+P316, P362+P364, P403, P403+P233, P405, P501

Identifiers

CAS number

4146-30-9

SMILES

NC[C@@H]1O[C@H](O[C@H]2[C@@H](O)[C@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]3O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3N)O[C@@H]2CO)[C@H](N)[C@@H](O)[C@@H]1O.O=S(=O)(O)O

InChIKey

OIXVKQDWLFHVGR-WQDIDPJDSA-N

InChI

InChI=1S/C23H46N6O13.H2O4S/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;1-5(2,3)4/h5-23,30-36H,1-4,24-29H2;(H2,1,2,3,4)/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

4 names

D-Streptamine, O-2,6-diamino-2,6-dideoxy-β-L-idopyranosyl-(1→3)-O-β-D-ribofuranosyl-(1→5)-O-[2,6-diamino-2,6-dideoxy-α-D-glucopyranosyl-(1→4)]-2-deoxy-, sulfate (1:3)
Neomycin B, sulfate (1:3) (salt)
D-Streptamine, O-2,6-diamino-2,6-dideoxy-β-L-idopyranosyl-(1→3)-O-β-D-ribofuranosyl-(1→5)-O-[2,6-diamino-2,6-dideoxy-α-D-glucopyranosyl-(1→4)]-2-deoxy-, sulfate (1:3) (salt)
Neomycin B trisulfate

Work with Neomycin B 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.

Neomycin1404-04-2Free base Neomycin sulfate1405-10-3

Similar compounds

Paromomycin sulfate1263-89-498 % similar Ribostamycin sulfate53797-35-691 % similar Kanamycin sulfate25389-94-071 % similar Kanamycin B4696-76-863 % similar Tobramycin sulfate49842-07-163 % similar Tobramycin sulfate79645-27-563 % similar Kanamycin A59-01-857 % similar Amikacin sulfate39831-55-553 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook