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Erythromycin Cyclocarbonate 1mg

CAT: 0628-A14228-1Size: 1 mgDry Ice: NoHazardous: No
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CAS Number
55224-05-0

Chemical Information

Erythromycin, cyclic 11,12-carbonate

Davercin is an aminoglycoside.

CAS Number55224-05-0
PubChem CID10033072
IUPAC Name(1R,2R,5R,6S,7S,8R,9R,11R,13R,14R)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-9-hydroxy-6-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-1,5,7,9,11,13-hexamethyl-3,15,17-trioxabicyclo[12.3.0]heptadecane-4,12,16-trione
Molecular FormulaC38H65NO14
Molecular Weight759.9
XLogP4.1
Topological Polar Surface Area189
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count15
Rotatable Bond Count7
Heavy Atom Count53
Formal Charge0
Complexity1300
SMILES
CC[C@@H]1[C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)OC)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C)O)(C)O)C)C)OC(=O)O2)C
InChI
InChI=1S/C38H65NO14/c1-14-25-38(10)32(52-35(44)53-38)20(4)27(40)18(2)16-36(8,45)31(51-34-28(41)24(39(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-37(9,46-13)30(42)23(7)48-26/h18-26,28-32,34,41-42,45H,14-17H2,1-13H3/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30+,31-,32-,34+,36-,37-,38-/m1/s1
InChIKey
NKLGIWNNVDPGCA-ZDYKNUMJSA-N
Chemical Structure
2D Structure
2D structure of Erythromycin, cyclic 11,12-carbonate
CAS: 55224-05-0
CID: 10033072
Formula: C38H65NO14
MW: 759.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight759.9
XLogP34.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count15
Rotatable Bond Count7
Exact Mass759.44050575
Monoisotopic Mass759.44050575
Topological Polar Surface Area189 Ų
Heavy Atom Count53
Formal Charge0
Complexity1300
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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