Micronomicin sulfate

C20H43N5O11SCAS 66803-19-8561.65 g/mol

Open in Covalent MOL file
HNNH2OHOOOOHHNHOH2NNH2OOSOOHHO
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

Hazards

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

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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

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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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