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Leucomycin U

CAT: 0013-GTR19255965-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19255965-01Size:50 mg
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Description
Leucomycin U is a macrolide antibiotic. It demonstrates significant activity against Gram-positive bacteria and also exhibits effects on spirochetes, rickettsiae, and chlamydiae.
CAS Number
31642-61-2
Field of Research
Infectious Disease & Virology
Smiles
C[C@@H]1C/C=C/C=C\[C@@H] ([C@@H] (C[C@@H] ([C@@H] ([C@H] ([C@@H] (CC (=O) O1) OC (=O) C) OC) O[C@H]2[C@@H] ([C@H] ([C@@H] ([C@H] (O2) C) O[C@H]3C[C@@] ([C@H] ([C@@H] (O3) C) O) (C) O) N (C) C) O) CC=O) C) O
Molecular Formula
C37H61NO14
Molecular Weight
743.878
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Deisovaleryl josamycin
CAS Number31642-61-2
PubChem CID90675211
IUPAC Name[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-4-yl] acetate
Molecular FormulaC37H61NO14
Molecular Weight743.9
XLogP1.1
Topological Polar Surface Area200
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count15
Rotatable Bond Count10
Heavy Atom Count52
Formal Charge0
Complexity1210
SMILES
C[C@@H]1C/C=C/C=C/[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)OC(=O)C)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)O)N(C)C)O)CC=O)C)O
InChI
InChI=1S/C37H61NO14/c1-20-17-25(15-16-39)33(34(46-9)27(50-24(5)40)18-28(42)47-21(2)13-11-10-12-14-26(20)41)52-36-31(43)30(38(7)8)32(22(3)49-36)51-29-19-37(6,45)35(44)23(4)48-29/h10-12,14,16,20-23,25-27,29-36,41,43-45H,13,15,17-19H2,1-9H3/b11-10+,14-12+/t20-,21-,22-,23+,25+,26+,27-,29+,30-,31-,32-,33+,34+,35+,36+,37-/m1/s1
InChIKey
VMPKXDLYZIGGMM-MXYURFFASA-N
Chemical Structure
2D Structure
2D structure of Deisovaleryl josamycin
CAS: 31642-61-2
CID: 90675211
Formula: C37H61NO14
MW: 743.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight743.9
XLogP31.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count15
Rotatable Bond Count10
Exact Mass743.40920562
Monoisotopic Mass743.40920562
Topological Polar Surface Area200 Ų
Heavy Atom Count52
Formal Charge0
Complexity1210
Isotope Atom Count0
Defined Atom Stereocenter Count16
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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