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Josamycin EP Impurity A (Leucomycin A4)

CAT: 1596-AR-J01043-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-J01043-01Size:10 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
18361-46-1
Synonyms
(4R,5S,6S,7R,9R,10R,11E,13E,16R) -4- (Acetyloxy) -6-[[3,6-dideoxy-4-O- (2,6-dideoxy-4-O-butanoyl-3-C-methyl-α-L-ribo-hexopyranosyl) -3- (dimethylamino) -Î2-D-glucopyranosyl]oxy]-10-hydroxy-5-methoxy-9,16-dimethyl-7- (2-oxoethyl) oxacyclohexadeca-11,13-dien-2-one (as per EP)
Molecular Formula
C41H67NO15
Molecular Weight
813.98
API Name
Josamycin

Chemical Information

Leucomycin A4

Leucomycin A4 is a macrolide and a butyrate ester.

CAS Number18361-46-1
PubChem CID5282323
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] butanoate
Molecular FormulaC41H67NO15
Molecular Weight814.0
XLogP2.5
Topological Polar Surface Area206
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count16
Rotatable Bond Count14
Heavy Atom Count57
Formal Charge0
Complexity1360
SMILES
CCCC(=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/C41H67NO15/c1-11-15-31(46)55-39-26(5)52-33(22-41(39,7)49)56-36-25(4)53-40(35(48)34(36)42(8)9)57-37-28(18-19-43)20-23(2)29(45)17-14-12-13-16-24(3)51-32(47)21-30(38(37)50-10)54-27(6)44/h12-14,17,19,23-26,28-30,33-40,45,48-49H,11,15-16,18,20-22H2,1-10H3/b13-12+,17-14+/t23-,24-,25-,26+,28+,29+,30-,33+,34-,35-,36-,37+,38+,39+,40+,41-/m1/s1
InChIKey
XVTMRUKLMXPAKO-RXUUKHTDSA-N
Chemical Structure
2D Structure
2D structure of Leucomycin A4
CAS: 18361-46-1
CID: 5282323
Formula: C41H67NO15
MW: 814.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight814.0
XLogP32.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count16
Rotatable Bond Count14
Exact Mass813.45107043
Monoisotopic Mass813.45107043
Topological Polar Surface Area206 Ų
Heavy Atom Count57
Formal Charge0
Complexity1360
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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Alternative Products

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RM-J151900-01Josamycin; Josamycin Propionate EP Impurity E
RM-J151914-01Josamycin Impurity N
RM-J151913-01Josamycin Impurity M
RM-J151915-01Josamycin Impurity 15
RM-J151912-01Josamycin Impurity L
RM-J151901-01Josamycin EP Impurity A
RM-J151908-01Josamycin EP Impurity H
RM-J151910-01Josamycin EP Impurity J
RM-J151909-01Josamycin EP Impurity I
RM-J151911-01Josamycin EP Impurity K

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