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Spectinomycin

CAT: 1489-S8040-03Size: 25 gDry Ice: NoHazardous: No
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CAT#:1489-S8040-03Size:25 g
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CAS Number
22189-32-8
Purity
Titer: ≥603mcg/mg

Chemical Information

Spectinomycin Hydrochloride

Spectinomycin hydrochloride hydrate is a hydrate that is the pentahydrate form of spectinomycin hydrochloride. An antibiotic that is active against gram-negative bacteria and used to treat gonorrhea. It has a role as an antimicrobial agent and an antibacterial drug. It is a hydrate and a hydrochloride. It contains a spectinomycin(2+).

CAS Number22189-32-8
PubChem CID30971
IUPAC Name(1R,3S,5R,8R,10R,11S,12S,13R,14S)-8,12,14-trihydroxy-5-methyl-11,13-bis(methylamino)-2,4,9-trioxatricyclo[8.4.0.03,8]tetradecan-7-one;pentahydrate;dihydrochloride
Molecular FormulaC14H36Cl2N2O12
Molecular Weight495.3
Topological Polar Surface Area135
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count14
Rotatable Bond Count2
Heavy Atom Count30
Formal Charge0
Complexity478
SMILES
C[C@@H]1CC(=O)[C@]2([C@@H](O1)O[C@@H]3[C@H]([C@@H]([C@@H]([C@@H]([C@H]3O2)NC)O)NC)O)O.O.O.O.O.O.Cl.Cl
InChI
InChI=1S/C14H24N2O7.2ClH.5H2O/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;5*1H2/t5-,7-,8+,9+,10+,11-,12-,13+,14+;;;;;;;/m1......./s1
InChIKey
DCHJOVNPPSBWHK-UXXUFHFZSA-N
Chemical Structure
2D Structure
2D structure of Spectinomycin Hydrochloride
CAS: 22189-32-8
CID: 30971
Formula: C14H36Cl2N2O12
MW: 495.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight495.3
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count14
Rotatable Bond Count2
Exact Mass494.1645300
Monoisotopic Mass494.1645300
Topological Polar Surface Area135 Ų
Heavy Atom Count30
Formal Charge0
Complexity478
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count8
Compound Is CanonicalizedYes

Alternative Products

CatalogName
C39SD1158Spectinomycin
377115Spectinomycin (Spectinomycin Hydrochloride, Trobicin) discontinued
B3342-5.1Spectinomycin dihydrochloride
242057-01Spectinomycin Sulfate
227158Spectinomycin (HRP)
MBS5300464-01Spectinomycin antibody
AR-S01844-01Spectinomycin DiHCl
C16889-10mM/1mLSpectinomycin 2HCl
414085Spectinomycin HCl
80-1270Spectinomycin-HRP

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