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Clindamycin Impurity 159

CAT: 1299-RM-C120559-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-C120559-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
14042-43-4
Synonyms
(2S,4R) -N- ((1R,2R) -1- ((2R,3R,4S,5R,6R) -6- (ethylthio) -3,4,5-trihydroxytetrahydro-2H-pyran-2-yl) -2-hydroxypropyl) -1-methyl-4-propylpyrrolidine-2-carboxamide
Molecular Formula
C19H36N2O6S
Molecular Weight
420.57
Target Alternative Name
Clindamycin
Product Name Synonym
(2S,4R) -N- ((1R,2R) -1- ((2R,3R,4S,5R,6R) -6- (ethylthio) -3,4,5-trihydroxytetrahydro-2H-pyran-2-yl) -2-hydroxypropyl) -1-methyl-4-propylpyrrolidine-2-carboxamide

Chemical Information

Clindamycin Impurity 159

Lincomycin C has been reported in Streptomyces lincolnensis with data available.

CAS Number14042-43-4
PubChem CID101276939
IUPAC Name(2S,4R)-N-[(1R,2R)-1-[(2R,3R,4S,5R,6R)-6-ethylsulfanyl-3,4,5-trihydroxyoxan-2-yl]-2-hydroxypropyl]-1-methyl-4-propylpyrrolidine-2-carboxamide
Molecular FormulaC19H36N2O6S
Molecular Weight420.6
XLogP0.6
Topological Polar Surface Area148
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Heavy Atom Count28
Formal Charge0
Complexity513
SMILES
CCC[C@@H]1C[C@H](N(C1)C)C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SCC)O)O)O)[C@@H](C)O
InChI
InChI=1S/C19H36N2O6S/c1-5-7-11-8-12(21(4)9-11)18(26)20-13(10(3)22)17-15(24)14(23)16(25)19(27-17)28-6-2/h10-17,19,22-25H,5-9H2,1-4H3,(H,20,26)/t10-,11-,12+,13-,14+,15-,16-,17-,19-/m1/s1
InChIKey
GNPWCZOXLLXPNA-RETOTEICSA-N
Chemical Structure
2D Structure
2D structure of Clindamycin Impurity 159
CAS: 14042-43-4
CID: 101276939
Formula: C19H36N2O6S
MW: 420.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight420.6
XLogP30.6
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass420.22940805
Monoisotopic Mass420.22940805
Topological Polar Surface Area148 Ų
Heavy Atom Count28
Formal Charge0
Complexity513
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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