chempirical

Micronomicin sulfate

C20H43N5O11SCAS 66803-19-8561.65 g/mol

Open in Covalent MOL file
NHNH2OHOOOOHHNHOH2NNH2OOSOHOOH
AcetalAlcoholEtherPrimary amineSecondary amine

Properties

Molecular formula
C20H43N5O11S
Molar mass
561.65 g/mol
Exact mass
561.2680 Da
logP
-4.37Crippen estimate
Polar surface area
274.3 Ų
H-bond donors / acceptors
10 / 14
Rotatable bonds
7
Stereocentres
S, R, R, R, S, S, R, R, R, R, R, Sin SMILES atom order

Identifiers

CAS number
66803-19-8
SMILES
CNC[C@@H]1CC[C@@H](N)[C@@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3OC[C@](C)(O)[C@H](NC)[C@H]3O)[C@H](N)C[C@@H]2N)O1.O=S(=O)(O)O
InChIKey
MQDGQSCLOYLSEK-SCFBDNQUSA-N
InChI
InChI=1S/C20H41N5O7.H2O4S/c1-20(28)8-29-19(14(27)17(20)25-3)32-16-12(23)6-11(22)15(13(16)26)31-18-10(21)5-4-9(30-18)7-24-2;1-5(2,3)4/h9-19,24-28H,4-8,21-23H2,1-3H3;(H2,1,2,3,4)/t9-,10+,11-,12+,13-,14+,15+,16-,17+,18+,19+,20-;/m0./s1

Weigh it out

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

Names and synonyms

2 names
  • D-Streptamine, O-2-amino-2,3,4,6-tetradeoxy-6-(methylamino)-α-D-erythro-hexopyranosyl-(1→4)-O-[3-deoxy-4-C-methyl-3-(methylamino)-β-L-arabinopyranosyl-(1→6)]-2-deoxy-, sulfate (1:?)
  • D-Streptamine, O-2-amino-2,3,4,6-tetradeoxy-6-(methylamino)-α-D-erythro-hexopyranosyl-(1→4)-O-[3-deoxy-4-C-methyl-3-(methylamino)-β-L-arabinopyranosyl-(1→6)]-2-deoxy-, sulfate (salt)

Work with Micronomicin 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

Similar compounds

Gentamicin sulfate1405-41-069 % similar Geneticin sulfate108321-42-266 % similar Gentamicin1403-66-363 % similar Sisomicin sulfate53179-09-262 % similar Netilmicin sulfate56391-57-254 % similar Isepamicin sulfate67814-76-054 % similar Sisomicin32385-11-852 % similar Apramycin sulfate65710-07-840 % similar

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

Elsewhere

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