chempirical

Isepamicin sulfate

C22H45N5O16SCAS 67814-76-0667.68 g/mol

Open in Covalent MOL file
HNHOOHOOONH2OHOHHONH2HNOOHNH2OOHOSOHOOH
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

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

Weigh it out

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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