chempirical

Spectinomycin hydrochloride

C14H26Cl2N2O7CAS 21736-83-4405.27 g/mol

Open in Covalent MOL file
NHHOHNOHOOOOOHHClHCl
AcetalAlcoholEtherKetoneSecondary amine

Properties

Molecular formula
C14H26Cl2N2O7
Molar mass
405.27 g/mol
Exact mass
404.1117 Da
logP
-2.08Crippen estimate
Polar surface area
129.5 Ų
H-bond donors / acceptors
5 / 9
Rotatable bonds
2
Stereocentres
R, S, S, R, R, 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. Search the SDS library

Identifiers

CAS number
21736-83-4
SMILES
CN[C@@H]1[C@H](O)[C@H](NC)[C@H]2O[C@@]3(O)C(=O)C[C@@H](C)O[C@H]3O[C@@H]2[C@H]1O.Cl.Cl
InChIKey
FOGDPGQSHLLYIK-XYQGXRRISA-N
InChI
InChI=1S/C14H24N2O7.2ClH/c1-5-4-6(17)14(20)13(21-5)22-12-10(19)7(15-2)9(18)8(16-3)11(12)23-14;;/h5,7-13,15-16,18-20H,4H2,1-3H3;2*1H/t5-,7-,8+,9+,10+,11-,12-,13+,14+;;/m1../s1

Weigh it out

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

Names and synonyms

7 names
  • 4H-Pyrano[2,3-b][1,4]benzodioxin-4-one, decahydro-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)-, hydrochloride (1:2), (2R,4aR,5aR,6S,7S,8R,9S,9aR,10aS)-
  • 4H-Pyrano[2,3-b][1,4]benzodioxin-4-one, decahydro-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)-, dihydrochloride, [2R-(2α,4aβ,5aβ,6β,7β,8β,9α,9aα,10aβ)]-
  • 4H-Pyrano[2,3-b][1,4]benzodioxin-4-one, decahydro-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)-, dihydrochloride, (2R,4aR,5aR,6S,7S,8R,9S,9aR,10aS)-
  • Spectinomycin dihydrochloride
  • Stanilo
  • (+)-Spectinomycin dihydrochloride
  • NSC 248616

Work with Spectinomycin hydrochloride

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.

Spectinomycin dihydrochloride pentahydrate22189-32-8Hydrate Spectinomycin1695-77-8Free base

Elsewhere

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