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Anhydro Erythromycin A

CAT: 0572-TRC-A638950-2.5MGSize: 2.5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A638950-2.5MGSize:2.5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
23893-13-2
Synonyms
9-Deoxo-6,12-dideoxy-6,9:9,12-diepoxy-erythromycin; 6,15,16-Trioxatricyclo[10.2.1.11,4]hexadecane, erythromycin deriv.; 6,9,12-Anhydroerythromycin A; 9-Deoxo-6,12-dideoxy-6,9:9,12-diepoxyerythromycin; Anhydroerythromycin; Anhydroerythromycin A; BRL 46355ER; EM 202; Erythromycin anhydride; Erythromycin Imp. D (EP); Erythromycin Estolate Impurity D; Erythromycin Ethylsuccinate Impurity D; Erythromycin Impurity D; Erythromycin Lactobionate Impurity D; Erythromycin Stearate Impurity D
Hazard Statement
Causes serious eye irritation
Purity
>95% (HPLC)
Smiles
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@@]4(C)C[C@@H](C)[C@]5(O4)O[C@@]1(C)[C@H](O)[C@H]5C
Molecular Formula
C37 H65 N O12
Molecular Weight
715.91
InChI
InChI=1S/C37H65NO12/c1-14-25-36(10)29(40)22(6)37(50-36)18(2)16-35(9,49-37)31(48-33-27(39)24(38(11)12)15-19(3)44-33)20(4)28(21(5)32(42)46-25)47-26-17-34(8,43-13)30(41)23(7)45-26/h18-31,33,39-41H,14-17H2,1-13H3/t18-,19-,20+,21-,22-,23+,24+,25-,26+,27-,28+,29-,30+,31-,33+,34-,35-,36-,37+/m1/s1
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Anhydroerythromycin A

acid-catalyzed degradation product of erythromycin A

CAS Number23893-13-2
PubChem CID83949
IUPAC Name(1S,2R,3R,4S,5R,8R,9S,10S,11R,12R,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-5-ethyl-3-hydroxy-9-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-2,4,8,10,12,14-hexamethyl-6,15,16-trioxatricyclo[10.2.1.11,4]hexadecan-7-one
Molecular FormulaC37H65NO12
Molecular Weight715.9
XLogP3.2
Topological Polar Surface Area155
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count13
Rotatable Bond Count7
Heavy Atom Count50
Formal Charge0
Complexity1210
SMILES
CC[C@@H]1[C@@]2([C@@H]([C@H]([C@@]3(O2)[C@@H](C[C@@](O3)([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]4C[C@@]([C@H]([C@@H](O4)C)O)(C)OC)C)O[C@H]5[C@@H]([C@H](C[C@H](O5)C)N(C)C)O)C)C)C)O)C
InChI
InChI=1S/C37H65NO12/c1-14-25-36(10)29(40)22(6)37(50-36)18(2)16-35(9,49-37)31(48-33-27(39)24(38(11)12)15-19(3)44-33)20(4)28(21(5)32(42)46-25)47-26-17-34(8,43-13)30(41)23(7)45-26/h18-31,33,39-41H,14-17H2,1-13H3/t18-,19-,20+,21-,22-,23+,24+,25-,26+,27-,28+,29-,30+,31-,33+,34-,35-,36-,37+/m1/s1
InChIKey
YKAVHPRGGAUFDN-JTQLBUQXSA-N
Chemical Structure
2D Structure
2D structure of Anhydroerythromycin A
CAS: 23893-13-2
CID: 83949
Formula: C37H65NO12
MW: 715.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight715.9
XLogP33.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count13
Rotatable Bond Count7
Exact Mass715.45067651
Monoisotopic Mass715.45067651
Topological Polar Surface Area155 Ų
Heavy Atom Count50
Formal Charge0
Complexity1210
Isotope Atom Count0
Defined Atom Stereocenter Count19
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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