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Leucomycin A6

CAT: 0804-HY-N15085Size: 1 EachDry Ice: NoHazardous: No
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Description
Leucomycin A6 is active against Gram-positive bacteria[1].
CAS Number
18361-48-3
UNSPSC
12352005
Target
Bacterial
Related Pathways
Anti-infection
Field of Research
Infection
Smiles
C[C@H]1O[C@@H](O[C@H]([C@@H](OC)[C@H](OC(C)=O)CC(O[C@H](C)C/C=C/C=C\[C@@H]2O)=O)[C@H](C[C@H]2C)CC=O)[C@H](O)[C@@H](N(C)C)[C@@H]1O[C@@H]3O[C@@H](C)[C@H](OC(CC)=O)C(C)(C)C3
Molecular Formula
C41H67NO14
Molecular Weight
797.97
References & Citations
[1]H He, et al. [Quantitative analysis of midecamycin by HPLC].
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Leucomycin A6

Leucomycin A6 is a macrolide.

CAS Number18361-48-3
PubChem CID11954019
IUPAC Name[(2S,3S,4R,6S)-6-[(2R,3S,4R,5R,6S)-6-[[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-4-acetyloxy-10-hydroxy-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] propanoate
Molecular FormulaC40H65NO15
Molecular Weight799.9
XLogP2.2
Topological Polar Surface Area206
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count16
Rotatable Bond Count13
Heavy Atom Count56
Formal Charge0
Complexity1340
SMILES
CCC(=O)O[C@H]1[C@@H](O[C@H](C[C@@]1(C)O)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2N(C)C)O)O[C@H]3[C@H](C[C@H]([C@H](/C=C/C=C/C[C@H](OC(=O)C[C@H]([C@@H]3OC)OC(=O)C)C)O)C)CC=O)C)C
InChI
InChI=1S/C40H65NO15/c1-11-30(45)54-38-25(5)51-32(21-40(38,7)48)55-35-24(4)52-39(34(47)33(35)41(8)9)56-36-27(17-18-42)19-22(2)28(44)16-14-12-13-15-23(3)50-31(46)20-29(37(36)49-10)53-26(6)43/h12-14,16,18,22-25,27-29,32-39,44,47-48H,11,15,17,19-21H2,1-10H3/b13-12+,16-14+/t22-,23-,24-,25+,27+,28+,29-,32+,33-,34-,35-,36+,37+,38+,39+,40-/m1/s1
InChIKey
ABTSKZKCMFRYNP-HUFPKKMTSA-N
Chemical Structure
2D Structure
2D structure of Leucomycin A6
CAS: 18361-48-3
CID: 11954019
Formula: C40H65NO15
MW: 799.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight799.9
XLogP32.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count16
Rotatable Bond Count13
Exact Mass799.43542037
Monoisotopic Mass799.43542037
Topological Polar Surface Area206 Ų
Heavy Atom Count56
Formal Charge0
Complexity1340
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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