Dihydrostreptomycin sulfate

C21H43N7O16SCAS 5490-27-7681.67 g/mol

Open in Covalent MOL file
HNOOOHOHNHNHNH2OHHNHNNH2OOHHOOHOHOHOOSOOHHO
AcetalAlcoholEtherGuanidineSecondary amine

Properties

Molecular formula
C21H43N7O16S
Molar mass
681.67 g/mol
Exact mass
681.2487 Da
logP
-8.60Crippen estimate
Polar surface area
409.2 Ų
H-bond donors / acceptors
17 / 17
Rotatable bonds
9
Stereocentres
S, S, R, R, R, R, S, R, R, S, S, R, S, 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
5490-27-7
SMILES
CN[C@@H]1[C@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](NC(=N)N)[C@@H](O)[C@@H]3NC(=N)N)O[C@@H](C)[C@]2(O)CO)O[C@@H](CO)[C@H](O)[C@H]1O.O=S(=O)(O)O
InChIKey
GSPKOIJAMLDYCY-RMIBZTJPSA-N
InChI
InChI=1S/C21H41N7O12.H2O4S/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35;1-5(2,3)4/h5-18,26,29-36H,3-4H2,1-2H3,(H4,22,23,27)(H4,24,25,28);(H2,1,2,3,4)/t5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15+,16-,17-,18-,21+;/m0./s1

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Names and synonyms

11 names
  • D-Streptamine, O-2-deoxy-2-(methylamino)-α-L-glucopyranosyl-(1→2)-O-5-deoxy-3-C-(hydroxymethyl)-α-L-lyxofuranosyl-(1→4)-N1,N3-bis(aminoiminomethyl)-, sulfate (2:3)
  • Streptomycin, dihydro-, sulfate (2:3) (salt)
  • D-Streptamine, O-2-deoxy-2-(methylamino)-α-L-glucopyranosyl-(1→2)-O-5-deoxy-3-C-(hydroxymethyl)-α-L-lyxofuranosyl-(1→4)-N,N′-bis(aminoiminomethyl)-, sulfate (2:3) (salt)
  • Dihydrostreptomycin 3/2 sulfate
  • Didromycine
  • Dihydrostreptomycin sesquisulfate
  • Panstreptin
  • Didromycin
  • Streptomagna
  • Double-mycin
  • Sol-mycin

Work with Dihydrostreptomycin 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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Dihydrostreptomycin128-46-1Free base D-Streptamine, O-2-deoxy-2-(methylamino)-α-L-glucopyranosyl-(1→2)-O-5-deoxy-3-C-(hydroxymethyl)-α-L-lyxofuranosyl-(1→4)-N1,N3-bis(aminoiminomethyl)-, sulfate (1:?)1425-61-2

Similar compounds

Streptomycin sulfate3810-74-078 % similar Streptomycin57-92-169 % similar Apramycin sulfate65710-07-839 % similar Kanamycin sulfate25389-94-031 % similar Ribostamycin sulfate53797-35-630 % similar Apramycin37321-09-830 % similar Apramycin41194-16-530 % similar Geneticin sulfate108321-42-230 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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