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Anhydroerythromycin A

CAT: 0024-sc-210819Size: 2.5 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-210819Size:2.5 mg
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CAS Number
23893-13-2

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
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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

Alternative Products

CatalogName
HY-N7454Anhydroerythromycin A
TRC-A331931-10MGAnhydroerythromycin-¹³CD₃
A079-5MGAnhydroerythromycin A EvoPure®
HY-N7454RAnhydroerythromycin A (Standard)
AR-E01804-01Erythromycin EP Impurity D (Anhydroerythromycin A)
RM-E182004-01Erythromycin EP Impurity D; Anhydroerythromycin A (USP)

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