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Azithromycin EP Impurity D

CAT: 1299-RM-A165124-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-A165124-02Size:25 mg
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CAS Number
612069-26-8
Synonyms
Azithromycin F; (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R) -11- (((2S,3R,4S,6R) -4- (dimethylamino) -3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl) oxy) -2-ethyl-3,4,10-trihydroxy-13- (((2R,4R,5S,6S) -5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl) oxy) -14- (hydroxymethyl) -3,5,6,8,10,12-hexamethyl-1-oxa-6-azacyclopentadecan-15-one
Molecular Formula
C38H72N2O13
Molecular Weight
764.98
Target Alternative Name
Azithromycin
Product Name Synonym
Azithromycin F; (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R) -11- (((2S,3R,4S,6R) -4- (dimethylamino) -3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl) oxy) -2-ethyl-3,4,10-trihydroxy-13- (((2R,4R,5S,6S) -5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl) oxy) -14- (hydroxymethyl) -3,5,6,8,10,12-hexamethyl-1-oxa-6-azacyclopentadecan-15-one

Chemical Information

Azithromycin F
CAS Number612069-26-8
PubChem CID71587770
IUPAC Name(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-14-(hydroxymethyl)-3,5,6,8,10,12-hexamethyl-1-oxa-6-azacyclopentadecan-15-one
Molecular FormulaC38H72N2O13
Molecular Weight765.0
XLogP3.4
Topological Polar Surface Area200
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count15
Rotatable Bond Count8
Heavy Atom Count53
Formal Charge0
Complexity1170
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)CO)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)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/C38H72N2O13/c1-14-27-38(9,47)31(43)23(5)40(12)18-20(2)16-36(7,46)33(53-35-29(42)26(39(10)11)15-21(3)49-35)22(4)30(25(19-41)34(45)51-27)52-28-17-37(8,48-13)32(44)24(6)50-28/h20-33,35,41-44,46-47H,14-19H2,1-13H3/t20-,21-,22+,23-,24+,25-,26+,27-,28+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1
InChIKey
FOKFKPIVUOKMAB-KRYDKTARSA-N
Chemical Structure
2D Structure
2D structure of Azithromycin F
CAS: 612069-26-8
CID: 71587770
Formula: C38H72N2O13
MW: 765.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight765.0
XLogP33.4
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count15
Rotatable Bond Count8
Exact Mass764.50344036
Monoisotopic Mass764.50344036
Topological Polar Surface Area200 Ų
Heavy Atom Count53
Formal Charge0
Complexity1170
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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