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Azithromycin Aglycone

CAT: 1596-AR-A07945-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-A07945-02Size:25 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
117693-42-2
Synonyms
(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R) -2-ethyl-3,4,10,11,13-pentahydroxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one
Molecular Formula
C22H43NO7
Molecular Weight
433.59
API Name
Azithromycin

Chemical Information

Azithromycin aglycone
CAS Number117693-42-2
PubChem CID57807251
IUPAC Name(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,10,11,13-pentahydroxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one
Molecular FormulaC22H43NO7
Molecular Weight433.6
XLogP1.1
Topological Polar Surface Area131
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count1
Heavy Atom Count30
Formal Charge0
Complexity576
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)O)(C)O)C)C)C)O)(C)O
InChI
InChI=1S/C22H43NO7/c1-9-16-22(7,29)19(26)15(5)23(8)11-12(2)10-21(6,28)18(25)13(3)17(24)14(4)20(27)30-16/h12-19,24-26,28-29H,9-11H2,1-8H3/t12-,13+,14-,15-,16-,17+,18-,19-,21-,22-/m1/s1
InChIKey
DZMMYAUQTDKEJG-DFKIMAAQSA-N
Chemical Structure
2D Structure
2D structure of Azithromycin aglycone
CAS: 117693-42-2
CID: 57807251
Formula: C22H43NO7
MW: 433.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight433.6
XLogP31.1
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count1
Exact Mass433.30395271
Monoisotopic Mass433.30395271
Topological Polar Surface Area131 Ų
Heavy Atom Count30
Formal Charge0
Complexity576
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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