chempirical

Hygromycin B

C20H37N3O13CAS 31282-04-9527.52 g/mol

Open in Covalent MOL file
NHH2NOHOOOHOHOOONH2OHOHOHOHOH
AcetalAlcoholEtherPrimary amineSecondary amine

Properties

Molecular formula
C20H37N3O13
Molar mass
527.52 g/mol
Exact mass
527.2326 Da
logP
-7.27Crippen estimate
Polar surface area
272.1 Ų
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

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

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

Similar compounds

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

Elsewhere

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