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Azithromycin Impurity 41

CAT: 1299-RM-A165141-04Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-A165141-04Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2365312-75-8
Synonyms
(2R,3S,4S,5R,6R,8R) -5- (((2S,3S,4S,6R) -4- (dimethylamino) -3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl) oxy) -6-hydroxy-3- (((2R,4R,5S,6S) -5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl) oxy) -2,4,6,8-tetramethyl-9- (methyl ((2R,3R,4R,5R) -3,4,5-trihydroxy-4-methylheptan-2-yl) amino) nonanoic acid
Molecular Formula
C38H74N2O13
Molecular Weight
767.01
Target Alternative Name
Azithromycin
Product Name Synonym
(2R,3S,4S,5R,6R,8R) -5- (((2S,3S,4S,6R) -4- (dimethylamino) -3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl) oxy) -6-hydroxy-3- (((2R,4R,5S,6S) -5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl) oxy) -2,4,6,8-tetramethyl-9- (methyl ((2R,3R,4R,5R) -3,4,5-trihydroxy-4-methylheptan-2-yl) amino) nonanoic acid

Chemical Information

(2R,3S,4S,5R,6R,8R)-5-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-6-hydroxy-3-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-2,4,6,8-tetramethyl-9-[methyl-[(2R,3R,4R,5R)-3,4,5-trihydroxy-4-methylheptan-2-yl]amino]nonanoic acid
CAS Number2365312-75-8
PubChem CID176473242
IUPAC Name(2R,3S,4S,5R,6R,8R)-5-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-6-hydroxy-3-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-2,4,6,8-tetramethyl-9-[methyl-[(2R,3R,4R,5R)-3,4,5-trihydroxy-4-methylheptan-2-yl]amino]nonanoic acid
Molecular FormulaC38H74N2O13
Molecular Weight767.0
XLogP-0.8
Topological Polar Surface Area211
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count15
Rotatable Bond Count20
Heavy Atom Count53
Formal Charge0
Complexity1140
SMILES
CC[C@H]([C@](C)([C@@H]([C@@H](C)N(C)C[C@H](C)C[C@](C)([C@@H]([C@@H](C)[C@@H]([C@@H](C)C(=O)O)OC1CC(C(C(O1)C)O)(C)OC)OC2C(C(CC(O2)C)N(C)C)O)O)O)O)O
InChI
InChI=1S/C38H74N2O13/c1-15-27(41)38(10,48)31(43)24(6)40(13)19-20(2)17-36(8,47)33(53-35-29(42)26(39(11)12)16-21(3)50-35)22(4)30(23(5)34(45)46)52-28-18-37(9,49-14)32(44)25(7)51-28/h20-33,35,41-44,47-48H,15-19H2,1-14H3,(H,45,46)/t20-,21?,22+,23-,24-,25?,26?,27-,28?,29?,30+,31-,32?,33-,35?,36-,37?,38-/m1/s1
InChIKey
BDADLROWTWMPFH-FHZDSTMTSA-N
Chemical Structure
2D Structure
2D structure of (2R,3S,4S,5R,6R,8R)-5-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-6-hydroxy-3-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-2,4,6,8-tetramethyl-9-[methyl-[(2R,3R,4R,5R)-3,4,5-trihydroxy-4-methylheptan-2-yl]amino]nonanoic acid
CAS: 2365312-75-8
CID: 176473242
Formula: C38H74N2O13
MW: 767.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight767.0
XLogP3-0.8
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count15
Rotatable Bond Count20
Exact Mass766.51909042
Monoisotopic Mass766.51909042
Topological Polar Surface Area211 Ų
Heavy Atom Count53
Formal Charge0
Complexity1140
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count8
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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