Hygromycin B

C₂₀H₃₇N₃O₁₃CAS 31282-04-9527.52 g/mol

Open in Covalent MOL file

Acetal Alcohol Ether Primary amine Secondary amine

Properties

Molecular formula: C₂₀H₃₇N₃O₁₃
Molar mass: 527.52 g/mol
Exact mass: 527.2326 Da
Water solubility: freely soluble
logP: -7.27Crippen estimate
Polar surface area: 272.1 Å²
H-bond donors / acceptors: 11 / 16
Rotatable bonds: 6
Stereocentres: S, R, S, R, S, R, S, S, S, R, S, R, S, R, Rin SMILES atom order

Hazards

Danger

H300+H310+H330 Fatal if swallowed, in contact with skin or if inhaled30.4% of notifiers
H300 Fatal if swallowed100% of notifiers
H310 Fatal in contact with skin80.4% of notifiers
H317 May cause an allergic skin reaction19.6% of notifiers
H318 Causes serious eye damage91.2% of notifiers
H330 Fatal if inhaled99% of notifiers
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled90.2% of notifiers

Aggregated from 102 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P233, P260, P261, P262, P264, P264+P265, P270, P271, P272, P280, P284, P301+P316, P302+P352, P304+P340, P305+P354+P338, P316, P317, P320, P321, P330, P333+P317, P342+P316, P361+P364, P362+P364, P403, P403+P233, P405, P501

Identifiers

CAS number

31282-04-9

SMILES

CN[C@H]1C[C@@H](N)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@@H]3OC4(O[C@H]23)O[C@H]([C@@H](N)CO)[C@H](O)[C@H](O)[C@H]4O)[C@@H]1O

InChIKey

GRRNUXAQVGOGFE-HUCHGKBZSA-N

InChI

InChI=1S/C20H37N3O13/c1-23-7-2-5(21)9(26)15(10(7)27)33-19-17-16(11(28)8(4-25)32-19)35-20(36-17)18(31)13(30)12(29)14(34-20)6(22)3-24/h5-19,23-31H,2-4,21-22H2,1H3/t5-,6+,7+,8-,9+,10-,11+,12-,13+,14-,15-,16+,17+,18-,19+,20?/m1/s1

Weigh it out

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

Names and synonyms

7 names

Hygromix 2.4
Antihelmycin
Hygrovetin
D-Streptamine, O-6-amino-6-deoxy-L-glycero-D-galacto-heptopyranosylidene-(1→2-3)-O-β-D-talopyranosyl-(1→5)-2-deoxy-N3-methyl-
O-6-Amino-6-deoxy-L-glycero-D-galacto-heptopyranosylidene-(1→2-3)-O-β-D-talopyranosyl-(1→5)-2-deoxy-N3-methyl-D-streptamine
Hygrovetine
Hygromix-8

Work with Hygromycin B

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

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Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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