Isepamicin sulfate

C22H45N5O16SCAS 67814-76-0667.68 g/mol

Open in Covalent MOL file
HNHOOHOOONH2OHOHHONH2HNOHOH2NOOHOSOOHHO
AcetalAlcoholEtherPrimary amineSecondary amine

Properties

Molecular formula
C22H45N5O16S
Molar mass
667.68 g/mol
Exact mass
667.2582 Da
logP
-7.34Crippen estimate
Polar surface area
375.8 Ų
H-bond donors / acceptors
14 / 18
Rotatable bonds
9
Stereocentres
R, R, R, S, S, R, R, R, S, S, R, S, R, S, Rin 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
67814-76-0
SMILES
CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](N)C[C@H]2N=C(O)[C@@H](O)CN)OC[C@]1(C)O.O=S(=O)(O)O
InChIKey
DDXRHRXGIWOVDQ-MGAUJLSLSA-N
InChI
InChI=1S/C22H43N5O12.H2O4S/c1-22(35)6-36-20(15(33)18(22)26-2)39-17-8(27-19(34)9(28)4-23)3-7(25)16(14(17)32)38-21-13(31)12(30)11(29)10(5-24)37-21;1-5(2,3)4/h7-18,20-21,26,28-33,35H,3-6,23-25H2,1-2H3,(H,27,34);(H2,1,2,3,4)/t7-,8+,9-,10+,11+,12-,13+,14-,15+,16+,17-,18+,20+,21+,22-;/m0./s1

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

Names and synonyms

5 names
  • D-Streptamine, O-6-amino-6-deoxy-α-D-glucopyranosyl-(1→4)-O-[3-deoxy-4-C-methyl-3-(methylamino)-β-L-arabinopyranosyl-(1→6)]-N1-[(2S)-3-amino-2-hydroxy-1-oxopropyl]-2-deoxy-, sulfate (1:?)
  • D-Streptamine, O-6-amino-6-deoxy-α-D-glucopyranosyl-(1→4)-O-[3-deoxy-4-C-methyl-3-(methylamino)-β-L-arabinopyranosyl-(1→6)]-N1-(3-amino-2-hydroxy-1-oxopropyl)-2-deoxy-, (S)-, sulfate (salt)
  • D-Streptamine, O-6-amino-6-deoxy-α-D-glucopyranosyl-(1→4)-O-[3-deoxy-4-C-methyl-3-(methylamino)-β-L-arabinopyranosyl-(1→6)]-N1-[(2S)-3-amino-2-hydroxy-1-oxopropyl]-2-deoxy-, sulfate (salt)
  • Isepacin
  • Exacin

Work with Isepamicin 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

Sisomicin sulfate53179-09-257 % similar Amikacin sulfate39831-55-557 % similar Gentamicin sulfate1405-41-056 % similar Geneticin sulfate108321-42-255 % similar Micronomicin sulfate66803-19-854 % similar Netilmicin sulfate56391-57-252 % similar Amikacin37517-28-548 % similar Sisomicin32385-11-848 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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