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Leucomycin A9

CAT: 0804-HY-N14760Size: 1 EachDry Ice: NoHazardous: No
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Description
Leucomycin A9 is a macrolide antibiotic. Leucomycin A9 has strong anti-Gram-positive bacterial effect, and also has an effect on spirochetes, Rickettsium and Chlamydia[1].
CAS Number
18361-49-4
UNSPSC
12352005
Target
Antibiotic; Bacterial
Related Pathways
Anti-infection
Field of Research
Infection
Smiles
O=CC[C@@H](C[C@H]([C@H](/C=C/C=C/C[C@H](OC(C[C@H]([C@@H]1OC)O)=O)C)O)C)[C@@H]1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@](O)([C@H]([C@@H](O3)C)OC(C)=O)C)N(C)C)O
Molecular Formula
C37H61NO14
Molecular Weight
743.88
References & Citations
[1]S Omura, et al. The structures of leucomycin A4A5A6A7A8 and A9.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Leucomycin A9

Leucomycin A9 is a macrolide.

CAS Number18361-49-4
PubChem CID5282328
IUPAC Name[(2S,3S,4R,6S)-6-[(2R,3S,4R,5R,6S)-6-[[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-4,10-dihydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-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)O)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)OC(=O)C)(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(42)18-28(43)47-21(2)13-11-10-12-14-26(20)41)52-36-31(44)30(38(7)8)32(22(3)49-36)51-29-19-37(6,45)35(23(4)48-29)50-24(5)40/h10-12,14,16,20-23,25-27,29-36,41-42,44-45H,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
LOJFCOBMHWVESZ-MXYURFFASA-N
Chemical Structure
2D Structure
2D structure of Leucomycin A9
CAS: 18361-49-4
CID: 5282328
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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