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Josamycin propionate

CAT: 0804-HY-125561Size: 1 EachDry Ice: NoHazardous: No
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Description
Josamycin propionate is classified as a macrolide antibiotic.
CAS Number
31674-19-8
UNSPSC
12352005
Target
Antibiotic
Type
Reference compound
Related Pathways
Anti-infection
Applications
COVID-19-immunoregulation
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/josamycin-propionate.html
Smiles
C[C@@H]1[C@H]([C@@H]([C@H]([C@]([H])(O[C@H]2[C@@H](CC=O)C[C@@H](C)[C@@H](O)/C=C/C=C/C[C@H](OC(C[C@H]([C@@H]2OC)OC(C)=O)=O)C)O1)OC(CC)=O)N(C)C)O[C@]3(C[C@@]([C@H]([C@@H](O3)C)OC(CC(C)C)=O)(C)O)[H]
Molecular Formula
C45H73NO16
Molecular Weight
884.06
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Josamycin 2A-propanoate
CAS Number31674-19-8
PubChem CID10395904
IUPAC Name[(2S,3S,4R,6S)-6-[(2R,3S,4S,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)-2-methyl-5-propanoyloxyoxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] 3-methylbutanoate
Molecular FormulaC45H73NO16
Molecular Weight884.1
XLogP4
Topological Polar Surface Area212
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count17
Rotatable Bond Count17
Heavy Atom Count62
Formal Charge0
Complexity1520
SMILES
CCC(=O)O[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2[C@H](C[C@H]([C@H](/C=C/C=C/C[C@H](OC(=O)C[C@H]([C@@H]2OC)OC(=O)C)C)O)C)CC=O)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)OC(=O)CC(C)C)(C)O)N(C)C
InChI
InChI=1S/C45H73NO16/c1-13-34(50)59-42-38(46(10)11)39(61-37-24-45(9,53)43(29(7)56-37)60-35(51)21-25(2)3)28(6)57-44(42)62-40-31(19-20-47)22-26(4)32(49)18-16-14-15-17-27(5)55-36(52)23-33(41(40)54-12)58-30(8)48/h14-16,18,20,25-29,31-33,37-44,49,53H,13,17,19,21-24H2,1-12H3/b15-14+,18-16+/t26-,27-,28-,29+,31+,32+,33-,37+,38+,39-,40+,41+,42-,43+,44+,45-/m1/s1
InChIKey
NBWASFCRCRXRKF-VGOAISAMSA-N
Chemical Structure
2D Structure
2D structure of Josamycin 2A-propanoate
CAS: 31674-19-8
CID: 10395904
Formula: C45H73NO16
MW: 884.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight884.1
XLogP34
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count17
Rotatable Bond Count17
Exact Mass883.49293524
Monoisotopic Mass883.49293524
Topological Polar Surface Area212 Ų
Heavy Atom Count62
Formal Charge0
Complexity1520
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
TRC-J212033-25MGJosamycin Propionate
RM-J151900-01Josamycin; Josamycin Propionate EP Impurity E
AR-J01048-01Josamycin Propionate EP Impurity A
AR-J01049-01Josamycin Propionate EP Impurity B
RM-J150104-01Josamycin Propionate EP Impurity D
RM-J150103-01Josamycin Propionate EP Impurity C
J001-100MGJosamycin

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