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Azithromycin EP Impurity C

CAT: 1299-RM-A165123-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-A165123-02Size:25 mg
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CAS Number
620169-47-3
Synonyms
Azithromycin C; (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R) -13- (((2R,4R,5S,6S) -4,5-dihydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl) oxy) -11- (((2S,3R,4S,6R) -4- (dimethylamino) -3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl) oxy) -2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one
Molecular Formula
C37H70N2O12
Molecular Weight
734.96
Target Alternative Name
Azithromycin
Product Name Synonym
Azithromycin C; (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R) -13- (((2R,4R,5S,6S) -4,5-dihydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl) oxy) -11- (((2S,3R,4S,6R) -4- (dimethylamino) -3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl) oxy) -2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one

Chemical Information

Azithromycin C
CAS Number620169-47-3
PubChem CID44421010
IUPAC Name(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-13-[(2R,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one
Molecular FormulaC37H70N2O12
Molecular Weight735.0
XLogP3.5
Topological Polar Surface Area191
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count14
Rotatable Bond Count6
Heavy Atom Count51
Formal Charge0
Complexity1140
SMILES
CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)O)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)C)O)(C)O
InChI
InChI=1S/C37H70N2O12/c1-14-26-37(10,46)30(41)23(6)39(13)18-19(2)16-36(9,45)32(51-34-28(40)25(38(11)12)15-20(3)47-34)21(4)29(22(5)33(43)49-26)50-27-17-35(8,44)31(42)24(7)48-27/h19-32,34,40-42,44-46H,14-18H2,1-13H3/t19-,20-,21+,22-,23-,24+,25+,26-,27+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1
InChIKey
PAIIKRKARNTWPY-HOQMJRDDSA-N
Chemical Structure
2D Structure
2D structure of Azithromycin C
CAS: 620169-47-3
CID: 44421010
Formula: C37H70N2O12
MW: 735.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight735.0
XLogP33.5
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count14
Rotatable Bond Count6
Exact Mass734.49287567
Monoisotopic Mass734.49287567
Topological Polar Surface Area191 Ų
Heavy Atom Count51
Formal Charge0
Complexity1140
Isotope Atom Count0
Defined Atom Stereocenter Count18
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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