chempirical

Spectinomycin

C14H24N2O7CAS 1695-77-8332.35 g/mol

Open in Covalent MOL file
NHHOHNOHOOOOOH
AcetalAlcoholEtherKetoneSecondary amine

Properties

Molecular formula
C14H24N2O7
Molar mass
332.35 g/mol
Exact mass
332.1584 Da
Melting point
185 °C (decomposes)
logP
-2.93Crippen 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
1695-77-8
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
InChIKey
UNFWWIHTNXNPBV-WXKVUWSESA-N
InChI
InChI=1S/C14H24N2O7/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/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

13 names · show all
  • 4H-Pyrano[2,3-b][1,4]benzodioxin-4-one, decahydro-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)-, (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)-
  • 4H-Pyrano[2,3-b][1,4]benzodioxin-4-one, decahydro-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)-, [2R-(2α,4aβ,5aβ,6β,7β,8β,9α,9aα,10aβ)]-
  • (2R,4aR,5aR,6S,7S,8R,9S,9aR,10aS)-Decahydro-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)-4H-pyrano[2,3-b][1,4]benzodioxin-4-one
  • Actinospectacin
  • Trobicin
  • Espectinomicina
  • M 141
  • U 18409E
  • Spectam
  • Togamycin
  • Antibiotic 2233wp
  • Spectacin

Work with Spectinomycin

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 hydrochloride21736-83-4Salt Spectinomycin dihydrochloride pentahydrate22189-32-8Salt

Elsewhere

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