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Josamycin Propionate EP Impurity D

CAT: 1596-AR-J01050-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-J01050-01Size:10 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
209549-20-2
Synonyms
Leucomycin A3 3â€3,9-dipropionate (as per EP)
Molecular Formula
C48H77NO17
Molecular Weight
940.13
API Name
Josamycin

Chemical Information

Josamycin Propionate EP Impurity D
CAS Number209549-20-2
PubChem CID101949743
IUPAC Name[(2S,3S,4R,6S)-6-[(2R,3S,4R,5R,6S)-6-[[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-4-acetyloxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-10-propanoyloxy-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl]oxy-2,4-dimethyl-4-propanoyloxyoxan-3-yl] 3-methylbutanoate
Molecular FormulaC48H77NO17
Molecular Weight940.1
XLogP5
Topological Polar Surface Area218
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count18
Rotatable Bond Count20
Heavy Atom Count66
Formal Charge0
Complexity1650
SMILES
CCC(=O)O[C@H]1/C=C/C=C/C[C@H](OC(=O)C[C@H]([C@@H]([C@H]([C@H](C[C@H]1C)CC=O)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)CC(C)C)(C)OC(=O)CC)N(C)C)O)OC)OC(=O)C)C
InChI
InChI=1S/C48H77NO17/c1-14-36(52)62-34-20-18-16-17-19-29(6)58-39(55)25-35(61-32(9)51)45(57-13)44(33(21-22-50)24-28(34)5)65-47-42(56)41(49(11)12)43(30(7)60-47)64-40-26-48(10,66-37(53)15-2)46(31(8)59-40)63-38(54)23-27(3)4/h16-18,20,22,27-31,33-35,40-47,56H,14-15,19,21,23-26H2,1-13H3/b17-16+,20-18+/t28-,29-,30-,31+,33+,34+,35-,40+,41-,42-,43-,44+,45+,46+,47+,48-/m1/s1
InChIKey
ROYFANACKROMBA-CMZBFWAWSA-N
Chemical Structure
2D Structure
2D structure of Josamycin Propionate EP Impurity D
CAS: 209549-20-2
CID: 101949743
Formula: C48H77NO17
MW: 940.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight940.1
XLogP35
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count18
Rotatable Bond Count20
Exact Mass939.51914999
Monoisotopic Mass939.51914999
Topological Polar Surface Area218 Ų
Heavy Atom Count66
Formal Charge0
Complexity1650
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

CatalogName
RM-J151900-01Josamycin; Josamycin Propionate EP Impurity E
RM-J150101-01Josamycin Propionate EP Impurity A
RM-J150104-01Josamycin Propionate EP Impurity D
RM-J150102-01Josamycin Propionate EP Impurity B
RM-J150103-01Josamycin Propionate EP Impurity C
TRC-J212033-25MGJosamycin Propionate
HY-125561RJosamycin propionate (Standard)
RM-J151914-01Josamycin Impurity N
RM-J151913-01Josamycin Impurity M
RM-J151915-01Josamycin Impurity 15

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