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Clarithromycin Impurity 39

CAT: 1299-RM-C181339-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-C181339-02Size:25 mg
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CAS Number
53066-43-6
Synonyms
(3R,4S,5S,6R,7R,9R,11S,12R,13S,14R) -6- (((2S,4S,6R) -4- (dimethylamino) -3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl) oxy) -14-ethyl-4,7,12,13-tetrahydroxy-10- (hydroxyimino) -3,5,7,9,11,13-hexamethyloxacyclotetradecan-2-one
Molecular Formula
C29H54N2O10
Molecular Weight
590.76
Target Alternative Name
Clarithromycin
Product Name Synonym
(3R,4S,5S,6R,7R,9R,11S,12R,13S,14R) -6- (((2S,4S,6R) -4- (dimethylamino) -3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl) oxy) -14-ethyl-4,7,12,13-tetrahydroxy-10- (hydroxyimino) -3,5,7,9,11,13-hexamethyloxacyclotetradecan-2-one

Chemical Information

Clarithromycin Impurity 39
CAS Number53066-43-6
PubChem CID177829275
IUPAC Name(3R,4S,5S,6R,7R,9R,11S,12R,13S,14R)-6-[(2S,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-4,7,12,13-tetrahydroxy-10-hydroxyimino-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one
Molecular FormulaC29H54N2O10
Molecular Weight590.7
XLogP2.4
Topological Polar Surface Area182
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count12
Rotatable Bond Count4
Heavy Atom Count41
Formal Charge0
Complexity905
SMILES
CC[C@@H]1[C@@]([C@@H]([C@H](C(=NO)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O)C)O[C@H]2C([C@H](C[C@H](O2)C)N(C)C)O)(C)O)C)C)O)(C)O
InChI
InChI=1S/C29H54N2O10/c1-11-20-29(8,37)24(34)16(4)21(30-38)14(2)13-28(7,36)25(17(5)22(32)18(6)26(35)40-20)41-27-23(33)19(31(9)10)12-15(3)39-27/h14-20,22-25,27,32-34,36-38H,11-13H2,1-10H3/t14-,15-,16+,17+,18-,19+,20-,22+,23?,24-,25-,27+,28-,29-/m1/s1
InChIKey
YJRGIMSNCPMDGW-WCFWCNBUSA-N
Chemical Structure
2D Structure
2D structure of Clarithromycin Impurity 39
CAS: 53066-43-6
CID: 177829275
Formula: C29H54N2O10
MW: 590.7
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight590.7
XLogP32.4
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count12
Rotatable Bond Count4
Exact Mass590.37784592
Monoisotopic Mass590.37784592
Topological Polar Surface Area182 Ų
Heavy Atom Count41
Formal Charge0
Complexity905
Isotope Atom Count0
Defined Atom Stereocenter Count13
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes