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Lincomycin Impurity 42

CAT: 1299-RM-L140342-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-L140342-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
776994-56-0
Synonyms
(2R,3R,4S,5R,6R) -4,5-dihydroxy-6- ((1R,2R) -2-hydroxy-1- ((2S,4R) -1-methyl-4-propylpyrrolidine-2-carboxamido) propyl) -2- (methylthio) tetrahydro-2H-pyran-3-yl palmitate
Molecular Formula
C34H64N2O7S
Molecular Weight
644.95
Target Alternative Name
Lincomycin
Product Name Synonym
(2R,3R,4S,5R,6R) -4,5-dihydroxy-6- ((1R,2R) -2-hydroxy-1- ((2S,4R) -1-methyl-4-propylpyrrolidine-2-carboxamido) propyl) -2- (methylthio) tetrahydro-2H-pyran-3-yl palmitate

Chemical Information

Lincomycin 2-Palmitate
CAS Number776994-56-0
PubChem CID175673975
IUPAC Name[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-[(1R,2R)-2-hydroxy-1-[[(2S,4R)-1-methyl-4-propylpyrrolidine-2-carbonyl]amino]propyl]-2-methylsulfanyloxan-3-yl] hexadecanoate
Molecular FormulaC34H64N2O7S
Molecular Weight644.9
XLogP7.7
Topological Polar Surface Area154
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count23
Heavy Atom Count44
Formal Charge0
Complexity806
SMILES
CCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1SC)[C@@H]([C@@H](C)O)NC(=O)[C@@H]2C[C@H](CN2C)CCC)O)O
InChI
InChI=1S/C34H64N2O7S/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-21-27(38)42-32-30(40)29(39)31(43-34(32)44-5)28(24(3)37)35-33(41)26-22-25(20-7-2)23-36(26)4/h24-26,28-32,34,37,39-40H,6-23H2,1-5H3,(H,35,41)/t24-,25-,26+,28-,29-,30+,31-,32-,34-/m1/s1
InChIKey
YDMUHYRVRJYCHC-KZMVCZLOSA-N
Chemical Structure
2D Structure
2D structure of Lincomycin 2-Palmitate
CAS: 776994-56-0
CID: 175673975
Formula: C34H64N2O7S
MW: 644.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight644.9
XLogP37.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count23
Exact Mass644.44342356
Monoisotopic Mass644.44342356
Topological Polar Surface Area154 Ų
Heavy Atom Count44
Formal Charge0
Complexity806
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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